| SpectraBase Spectrum ID |
CRJTWDSONU |
| Name |
(5R,6R)-1,3-dimethyl-4,5,6,7-tetrahydro-2-benzothiophene-5,6-dicarbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12N2S |
| InChI |
InChI=1S/C12H12N2S/c1-7-11-3-9(5-13)10(6-14)4-12(11)8(2)15-7/h9-10H,3-4H2,1-2H3/t9-,10-/m0/s1 |
| InChIKey |
VTPUTXCKCOHKLU-UWVGGRQHSA-N |
| Molecular Weight |
216.302 g/mol |
| SMILES |
c12c(c(C)sc2C)C[C@]([C@@](C1)(C#N)[H])(C#N)[H] |
| SPLASH |
splash10-000i-0920000000-0b2ea41f84e91f1df33e |
| Source of Spectrum |
F-67-9274-10 |
| Synonyms |
(5R,6R)-1,3-dimethyl-4,5,6,7-tetrahydroisobenzothiophene-5,6-dicarbonitrile |
| Wiley ID |
1571434 |
