| SpectraBase Spectrum ID |
GLMfftzAAdz |
| Name |
Dimethyl trans-4-cyanothiochroman-trans-2,3-dicarboxylate |
| Alternate Name(s) |
Dimethyl (2R,3S,4S)-4-cyano-3,4-dihydro-2H-1-benzothiopyran-2,3-dicarboxylate |
| CAS Registry Number |
132681-55-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H13NO4S |
| InChI |
InChI=1S/C14H13NO4S/c1-18-13(16)11-9(7-15)8-5-3-4-6-10(8)20-12(11)14(17)19-2/h3-6,9,11-12H,1-2H3/t9-,11-,12-/m1/s1 |
| InChIKey |
OSQHVUOZPRQTCS-YUSALJHKSA-N |
| Molecular Weight |
291.321 g/mol |
| SMILES |
[C@]1([C@@](Sc2c([C@]1(C#N)[H])cccc2)(C(=O)OC)[H])(C(=O)OC)[H] |
| SPLASH |
splash10-05gi-0690000000-2e73bb1335259a65cf23 |
| Source of Spectrum |
KC-1990-2976-10 |
| Wiley ID |
1294418 |
