| SpectraBase Spectrum ID |
1Vr7QzAVnc |
| Name |
2H-1-Benzothiopyran-3-carboxylic acid, 4-cyano-3,4-dihydro-, methyl ester, trans- |
| CAS Registry Number |
120810-24-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H11NO2S |
| InChI |
InChI=1S/C12H11NO2S/c1-15-12(14)10-7-16-11-5-3-2-4-8(11)9(10)6-13/h2-5,9-10H,7H2,1H3/t9-,10-/m0/s1 |
| InChIKey |
OVIOCCKQWYUSBT-UWVGGRQHSA-N |
| Molecular Weight |
233.285 g/mol |
| SMILES |
[C@@]1([C@](c2ccccc2SC1)(C#N)[H])(C(=O)OC)[H] |
| SPLASH |
splash10-00f0-0960000000-89500406dbdee504752a |
| Source of Spectrum |
KC-1988-3379-9 |
| Synonyms |
Methyl (3S,4R)-4-cyano-3,4-dihydro-2H-1-benzothiopyran-3-carboxylate
Methyl 4-cyanothiochroman-trans-3-carboxylate |
| Wiley ID |
1234763 |
