| SpectraBase Spectrum ID |
8Wk4o9jHyHm |
| Name |
Methyl cis-4-cyano cis-2-methyl(thiochroman)-3-carboxylate |
| CAS Registry Number |
132747-92-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13NO2S |
| InChI |
InChI=1S/C13H13NO2S/c1-8-12(13(15)16-2)10(7-14)9-5-3-4-6-11(9)17-8/h3-6,8,10,12H,1-2H3/t8-,10-,12+/m0/s1 |
| InChIKey |
OFTLEVLHBZCFBP-PTOFAABTSA-N |
| Molecular Weight |
247.312 g/mol |
| SMILES |
[C@]1([C@](c2ccccc2S[C@]1(C)[H])(C#N)[H])(C(=O)OC)[H] |
| SPLASH |
splash10-0002-0490000000-959b8178cb20b696efc1 |
| Source of Spectrum |
KC-1990-2976-9 |
| Synonyms |
Methyl (2S,3R,4R)-4-cyano-2-methyl-3,4-dihydro-2H-1-benzothiopyran-3-carboxylate |
| Wiley ID |
1249905 |
