| SpectraBase Spectrum ID |
HQK0LdGA9ug |
| Name |
(1R,3S)-3-Methyl-2,2-bis(phenylthio)cyclopropanecarboxylic acid |
| Appearance |
White crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16O2S2 |
| InChI |
InChI=1S/C17H16O2S2/c1-12-15(16(18)19)17(12,20-13-8-4-2-5-9-13)21-14-10-6-3-7-11-14/h2-12,15H,1H3,(H,18,19)/t12-,15+/m0/s1 |
| InChIKey |
CQBJCVCZSLJYNH-SWLSCSKDSA-N |
| Instrument Name |
Shimadzu GCMS QP2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.p008.380 |
| Molecular Weight |
316.433 g/mol |
| Optical Rotation |
[a]D = +121.9 (c = 0.8, acetone) |
| SMILES |
OC([C@]1([C@@](C1(Sc1ccccc1)Sc1ccccc1)(C)[H])[H])=O |
| SPLASH |
splash10-03di-0900000000-8d0875008b4e54584afc |
| Source of Spectrum |
ARK-2014-85-(1R,3S)-5 |
| Wiley ID |
1845583 |
