| SpectraBase Spectrum ID |
674zmHfnddq |
| Name |
(2Z)-2-(2,2-Dimethylpropylidene)-1-benzothiophen-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.076536244 u |
| Formula |
C13H14OS |
| InChI |
InChI=1S/C13H14OS/c1-13(2,3)8-11-12(14)9-6-4-5-7-10(9)15-11/h4-8H,1-3H3/b11-8- |
| InChIKey |
MUINFTUWPVZZHV-FLIBITNWSA-N |
| Molecular Weight |
218.314 g/mol |
| SMILES |
C1=2S\C(C(C1=CC=CC2)=O)=C\C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825822 |
