| SpectraBase Spectrum ID |
3L21LE7TMLZ |
| Name |
4-Methyoxy-2-methyl-1-((2,6-dimethylphenyl)thio)buta-1,3-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.107836373 u |
| Formula |
C14H18OS |
| InChI |
InChI=1S/C14H18OS/c1-11(8-9-15-4)10-16-14-12(2)6-5-7-13(14)3/h5-10H,1-4H3/b9-8+,11-10- |
| InChIKey |
XQNUYXMFSIXQFE-OCBXPSTGSA-N |
| Molecular Weight |
234.357 g/mol |
| SMILES |
C=1(S\C=C/(\C=C\OC)C)C(=CC=CC1C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906492 |
