| SpectraBase Spectrum ID |
Cc5CDrLQl4x |
| Name |
3-Cyclohexene-1,2-dicarboxylic acid, 5-(phenylthio)-, dimethyl ester, (1.alpha.,2.alpha.,5.beta.)- |
| CAS Registry Number |
61518-49-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18O4S |
| InChI |
InChI=1S/C16H18O4S/c1-19-15(17)13-9-8-12(10-14(13)16(18)20-2)21-11-6-4-3-5-7-11/h3-9,12-14H,10H2,1-2H3/t12-,13-,14+/m1/s1 |
| InChIKey |
VOBGJZBVQWLHRB-MCIONIFRSA-N |
| Molecular Weight |
306.376 g/mol |
| SMILES |
[C@]1([C@@](C(=O)OC)(C[C@@](C=C1)(Sc1ccccc1)[H])[H])(C(=O)OC)[H] |
| SPLASH |
splash10-0a4j-0964000000-ab876d8040a1bd05a4bd |
| Source of Spectrum |
KC-1981-2428-0 |
| Synonyms |
Dimethyl (1S,2R,5S)-5-(phenylsulfanyl)-3-cyclohexene-1,2-dicarboxylate
Dimethyl 5-phenylthiocyclohex-3-ene-1,2-dicarboxylate |
| Wiley ID |
1307914 |
