| SpectraBase Spectrum ID |
42UDWqYH7f4 |
| Name |
1-[[(E)-3,3-dimethylbut-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/c1-14(2,3)9-10-16-11-12-5-7-13(15-4)8-6-12/h5-10H,11H2,1-4H3/b10-9+ |
| InChIKey |
HXYSPAKPLPZSKF-MDZDMXLPSA-N |
| Molecular Weight |
236.373 g/mol |
| SMILES |
C(S\C=C\C(C)(C)C)C=1C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957622 |
![1-[[(E)-3,3-dimethylbut-1-enyl]sulfanylmethyl]-4-methoxy-benzene](/api/spectrum/42UDWqYH7f4/structure.png?h=300&w=458 "1-[[(E)-3,3-dimethylbut-1-enyl]sulfanylmethyl]-4-methoxy-benzene")
