| SpectraBase Spectrum ID |
FQTOSGatS3T |
| Name |
2(1H)-Azocinone, hexahydro-3-[(phenylmethyl)sulfinyl]-, (R*,S*)- |
| CAS Registry Number |
78421-78-0 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H19NO2S |
| InChI |
InChI=1S/C14H19NO2S/c16-14-13(9-5-2-6-10-15-14)18(17)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,15,16)/t13-,18?/m0/s1 |
| InChIKey |
HHSVHVKNFSJSLG-SCLBCKFNSA-N |
| Molecular Weight |
265.371 g/mol |
| SMILES |
N1CCCCC[C@@](C1=O)([S@@](Cc1ccccc1)=O)[H] |
| SPLASH |
splash10-0006-9000000000-45d6bb797f8ec1b487a0 |
| Source of Spectrum |
B-34-579-0 |
| Synonyms |
(3S)-3-(benzylsulfinyl)hexahydro-2(1H)-azocinone
3-Benzylsulfinylhexahydroazocin-2(1H)-one (isomer b) |
| Wiley ID |
1268897 |
![2(1H)-Azocinone, hexahydro-3-[(phenylmethyl)sulfinyl]-, (R*,S*)-](/api/spectrum/FQTOSGatS3T/structure.png?h=300&w=458 "2(1H)-Azocinone, hexahydro-3-[(phenylmethyl)sulfinyl]-, (R*,S*)-")
