| SpectraBase Spectrum ID |
HqMjZAED0h3 |
| Name |
2(1H)-Azocinone, hexahydro-3-(phenylsulfinyl)-, (R*,R*)- |
| Alternate Name(s) |
(3R)-3-(phenylsulfinyl)hexahydro-2(1H)-azocinone
3-Phenylsulfinylhexahydroazocin-2(1H)-one (isomer a) |
| CAS Registry Number |
78411-33-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H17NO2S |
| InChI |
InChI=1S/C13H17NO2S/c15-13-12(9-5-2-6-10-14-13)17(16)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,14,15)/t12-,17?/m1/s1 |
| InChIKey |
LXKHEDPYLYWUSF-MTATWXBHSA-N |
| Molecular Weight |
251.344 g/mol |
| SMILES |
N1CCCCC[C@](C1=O)([S@@](=O)c1ccccc1)[H] |
| SPLASH |
splash10-056r-9530000000-1de6b63cbe106413ee72 |
| Source of Spectrum |
B-34-578-0 |
| Wiley ID |
1254441 |
