| SpectraBase Spectrum ID |
8hoNG3WFZKw |
| Name |
4-Cyano-2-(4-hydroxy-2,3-dimethylbut-2-enyl)-2H-1-benzothiopyran |
| Alternate Name(s) |
2-[(2E)-4-hydroxy-2,3-dimethyl-2-butenyl]-2H-1-benzothiopyran-4-carbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H17NOS |
| InChI |
InChI=1S/C16H17NOS/c1-11(12(2)10-18)7-14-8-13(9-17)15-5-3-4-6-16(15)19-14/h3-6,8,14,18H,7,10H2,1-2H3/b12-11+ |
| InChIKey |
ASXHYQZEXGZVQR-VAWYXSNFSA-N |
| Molecular Weight |
271.378 g/mol |
| SMILES |
OC\C(=C\(CC1C=C(c2c(S1)cccc2)C#N)C)C |
| SPLASH |
splash10-00di-0900000000-53737452749f17c98c08 |
| Source of Spectrum |
KC-0-2234-5 |
| Wiley ID |
786321 |
