| SpectraBase Spectrum ID |
CrqSsAOJTp6 |
| Name |
cis-3a,4,5,6,7,7a-Hexahydro-2-methyl-1-[(4-methylphenyl)sulfonyl]indole |
| Alternate Name(s) |
(3aR,7aR)-2-methyl-1-[(4-methylphenyl)sulfonyl]-3a,4,5,6,7,7a-hexahydro-1H-indole |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H21NO2S |
| InChI |
InChI=1S/C16H21NO2S/c1-12-7-9-15(10-8-12)20(18,19)17-13(2)11-14-5-3-4-6-16(14)17/h7-11,14,16H,3-6H2,1-2H3/t14-,16-/m1/s1 |
| InChIKey |
JISAQWQIIPAVDQ-GDBMZVCRSA-N |
| Molecular Weight |
291.409 g/mol |
| SMILES |
C=1(N(S(c2ccc(cc2)C)(=O)=O)[C@]2([C@@](C1)(CCCC2)[H])[H])C |
| SPLASH |
splash10-000i-0910000000-8302fe75cd019b71c9ca |
| Source of Spectrum |
J-61-5446-28 |
| Wiley ID |
1294546 |
![cis-3a,4,5,6,7,7a-Hexahydro-2-methyl-1-[(4-methylphenyl)sulfonyl]indole](/api/spectrum/CrqSsAOJTp6/structure.png?h=300&w=458 "cis-3a,4,5,6,7,7a-Hexahydro-2-methyl-1-[(4-methylphenyl)sulfonyl]indole")
