| SpectraBase Spectrum ID |
JnBPmDKUUM1 |
| Name |
1-[[(E)-hex-1-enyl]sulfanylmethyl]-4-methoxy-benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.123486437 u |
| Formula |
C14H20OS |
| InChI |
InChI=1S/C14H20OS/c1-3-4-5-6-11-16-12-13-7-9-14(15-2)10-8-13/h6-11H,3-5,12H2,1-2H3/b11-6+ |
| InChIKey |
CIPHOJWPIYCQFK-IZZDOVSWSA-N |
| Molecular Weight |
236.373 g/mol |
| SMILES |
C(\C=C\SCC=1C=CC(=CC1)OC)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910837 |
![1-[[(E)-hex-1-enyl]sulfanylmethyl]-4-methoxy-benzene](/api/spectrum/JnBPmDKUUM1/structure.png?h=300&w=458 "1-[[(E)-hex-1-enyl]sulfanylmethyl]-4-methoxy-benzene")
