• Data source

  • Data source type

  • Focused library

  • XSection

Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 171 results

Search term: DATA_SOURCE in ('hko / nmr inhouse database ')
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
6675


InChI=1/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
C7H5IO2248.017917620633471
121487

InChI=1/C5H10O2/c1-5(2-6)3-7-4-5/h6H,2-4H2,1H3
C5H10O2102.1317147830406
13476

InChI=1/C9H8O2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2,(H,10,11)
C9H8O2148.15861451341331
10442628


InChI=1/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
C18H19ClN4326.82331335358786824
85777

InChI=1/C8H5BrO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-3H,4H2
C8H5BrO3229.02751179900
68648

InChI=1/C7H3N3/c8-4-6-2-1-3-7(5-9)10-6/h1-3H
C7H3N3129.11881158415
488104

InChI=1/C21H20O3/c22-14-19-11-20(23-15-17-7-3-1-4-8-17)13-21(12-19)24-16-18-9-5-2-6-10-18/h1-13,22H,14-16H2
C21H20O3320.38171025304
461233

InChI=1/C5H10O3/c6-1-5(2-7)3-8-4-5/h6-7H,1-4H2
C5H10O3118.1311965700
2015429

InChI=1/C22H20O4/c1-24-22(23)19-12-20(25-15-17-8-4-2-5-9-17)14-21(13-19)26-16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3
C22H20O4348.3918765101
73665

InChI=1/C7H12O3/c1-2-4-9-6-7-10-5-3-8/h1,8H,3-7H2
C7H12O3144.1684676200
2272774


InChI=1/C23H32N2O2S/c1-17(2)13-15-26-21-9-5-19(6-10-21)24-23(28)25-20-7-11-22(12-8-20)27-16-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H2,24,25,28)
C23H32N2O2S400.57746414612931
61532
InChI=1/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)
C14H13NO2227.2585606600
9292383

InChI=1/C6H9I/c1-2-3-4-5-6-7/h1H,3-6H2
C6H9I208.0401523900
558894

Double-bond stereo
InChI=1/C3H3IO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1-
C3H3IO2197.9592503800
2879147

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H26Br2O2/c1-4-6-7-13(5-2)12-21-17-9-14(10-18)16(20-3)8-15(17)11-19/h8-9,13H,4-7,10-12H2,1-3H3
C17H26Br2O2422.19514493200
1052057

InChI=1/C20H24O6/c1-22-16-8-6-13(10-18(16)24-3)15(12-20(21)26-5)14-7-9-17(23-2)19(11-14)25-4/h6-11,15H,12H2,1-5H3
C20H24O6360.401453700
2338324


InChI=1/C17H16O8/c1-8-4-11(19)14(16(20)21)12(5-8)25-15-10(17(22)24-3)6-9(18)7-13(15)23-2/h4-7,18-19H,1-3H3,(H,20,21)
C17H16O8348.30414454600
9451836

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H19NO/c1-3-7-15(8-4-1)11-18(13-17-14-19-17)12-16-9-5-2-6-10-16/h1-10,17H,11-14H2
C17H19NO253.3389412600
140791

InChI=1/C16H12N2O2/c19-9-10-5-6-14(20-10)16-15-12(7-8-17-16)11-3-1-2-4-13(11)18-15/h1-8,18-19H,9H2
C16H12N2O2264.2787384500
154182
InChI=1/C12H14O5/c1-3-17-11(16)5-8-4-9(14)6-10(15)12(8)7(2)13/h4,6,14-15H,3,5H2,1-2H3
C12H14O5238.2366333420
12345

Advertisement