| SpectraBase Spectrum ID |
9J2egXeGPl7 |
| Name |
2H-1-Benzothiopyran-4-carbonitrile, 3,4-dihydro-3,3-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
203.076870597 u |
| Formula |
C12H13NS |
| InChI |
InChI=1S/C12H13NS/c1-12(2)8-14-11-6-4-3-5-9(11)10(12)7-13/h3-6,10H,8H2,1-2H3 |
| InChIKey |
UELNBEVFNFDKTL-UHFFFAOYSA-N |
| Molecular Weight |
203.303 g/mol |
| SMILES |
C1(C=2C(=CC=CC2)SCC1(C)C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815029 |
