| SpectraBase Spectrum ID |
7iZV8NZLCQQ |
| Name |
2H-1-Benzothiopyran-4-carbonitrile, 3,4-dihydro-2,3-dimethyl-, (2.alpha.,3.beta.,4.alpha.)- |
| CAS Registry Number |
120850-83-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13NS |
| InChI |
InChI=1S/C12H13NS/c1-8-9(2)14-12-6-4-3-5-10(12)11(8)7-13/h3-6,8-9,11H,1-2H3/t8-,9-,11+/m0/s1 |
| InChIKey |
MRFNFKCPVGTVNP-ATZCPNFKSA-N |
| Molecular Weight |
203.303 g/mol |
| SMILES |
c12S[C@]([C@@]([C@](c2cccc1)(C#N)[H])(C)[H])(C)[H] |
| SPLASH |
splash10-0udi-0970000000-e06dce624626d99c55ff |
| Source of Spectrum |
KC-1988-3379-13 |
| Synonyms |
(2S,3R,4R)-2,3-dimethyl-3,4-dihydro-2H-1-benzothiopyran-4-carbonitrile
cis,trans-2,3-dimethylthiochroman-4-carbonitrile |
| Wiley ID |
1200936 |
