| SpectraBase Spectrum ID |
ItFZxBnIgoo |
| Name |
Methyltrans-4-cyano-trans-2-methyl(thiochroman)-3-carboxylate |
| Alternate Name(s) |
Methyl trans-4-cyano-cis-2-methyl(thiochroman)-3-carboxylate
Methyl (2S,3S,4R)-4-cyano-2-methyl-3,4-dihydro-2H-1-benzothiopyran-3-carboxylate |
| CAS Registry Number |
132747-95-6 |
| 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-PEXQALLHSA-N |
| Molecular Weight |
247.312 g/mol |
| SMILES |
[C@@]1([C@](c2ccccc2S[C@]1(C)[H])(C#N)[H])(C(=O)OC)[H] |
| SPLASH |
splash10-00ds-0930000000-76e406ace1ef39b451ab |
| Source of Spectrum |
KC-1990-2975-9 |
| Wiley ID |
1249904 |
