| SpectraBase Spectrum ID |
DZYjUaRg9oD |
| Name |
2H-1-Benzothiopyran-4-carbonitrile, 3-butyl-3,4-dihydro-, trans- |
| CAS Registry Number |
120783-35-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H17NS |
| InChI |
InChI=1S/C14H17NS/c1-2-3-6-11-10-16-14-8-5-4-7-12(14)13(11)9-15/h4-5,7-8,11,13H,2-3,6,10H2,1H3/t11-,13+/m0/s1 |
| InChIKey |
YKPZLEMDPJRKPB-WCQYABFASA-N |
| Molecular Weight |
231.357 g/mol |
| SMILES |
[C@]1(c2c(cccc2)SC[C@@]1(CCCC)[H])(C#N)[H] |
| SPLASH |
splash10-001i-0790000000-7e987960b52b306bb20f |
| Source of Spectrum |
KC-1988-3379-9 |
| Synonyms |
(3R,4R)-3-butyl-3,4-dihydro-2H-1-benzothiopyran-4-carbonitrile
trans-3-butylthiochroman-4-carbonitrile |
| Wiley ID |
1232967 |
