| SpectraBase Spectrum ID |
FH44ytqHWcf |
| Name |
(+/-)-5-methyl-1.beta.-[(4-methylphenyl)sulfonyl]-4-nitro-2,3,3a.beta.,4.alpha.,5.alpha.,7a.alpha.-hexahydro-1H-indene |
| CAS Registry Number |
96556-68-2 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21NO4S |
| InChI |
InChI=1S/C17H21NO4S/c1-11-3-6-13(7-4-11)23(21,22)16-10-9-15-14(16)8-5-12(2)17(15)18(19)20/h3-8,12,14-17H,9-10H2,1-2H3/t12-,14-,15+,16?,17-/m0/s1 |
| InChIKey |
OLWZMDNQOKVFFV-JDACHINLSA-N |
| Molecular Weight |
335.418 g/mol |
| SMILES |
C1(S(c2ccc(cc2)C)(=O)=O)[C@@]2([C@@]([C@@](N(=O)=O)([C@](C=C2)(C)[H])[H])([H])CC1)[H] |
| SPLASH |
splash10-053r-0900000000-e0ce77d5620cf71024a4 |
| Source of Spectrum |
J-50-2631-25 |
| Synonyms |
(3aR,4S,5S,7aS)-5-methyl-1-[(4-methylphenyl)sulfonyl]-4-nitro-2,3,3a,4,5,7a-hexahydro-1H-indene
(3aR,4S,5S,7aS)-5-methyl-4-nitro-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl 4-methylphenyl sulfone |
| Wiley ID |
1331617 |
![(+/-)-5-methyl-1.beta.-[(4-methylphenyl)sulfonyl]-4-nitro-2,3,3a.beta.,4.alpha.,5.alpha.,7a.alpha.-hexahydro-1H-indene](/api/spectrum/FH44ytqHWcf/structure.png?h=300&w=458 "(+/-)-5-methyl-1.beta.-[(4-methylphenyl)sulfonyl]-4-nitro-2,3,3a.beta.,4.alpha.,5.alpha.,7a.alpha.-hexahydro-1H-indene")
