| SpectraBase Spectrum ID |
KEyyT1Yr1Af |
| Name |
2-[(4-Methoxyphenyl)sulfanyl]-1,3,5-trimethylbenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.107836373 u |
| Formula |
C16H18OS |
| InChI |
InChI=1S/C16H18OS/c1-11-9-12(2)16(13(3)10-11)18-15-7-5-14(17-4)6-8-15/h5-10H,1-4H3 |
| InChIKey |
JUCOTJKNSAGSJA-UHFFFAOYSA-N |
| Molecular Weight |
258.379 g/mol |
| SMILES |
C=1(C(=C(C=C(C1)C)C)SC=1C=CC(=CC1)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950689 |
![2-[(4-Methoxyphenyl)sulfanyl]-1,3,5-trimethylbenzene](/api/spectrum/KEyyT1Yr1Af/structure.png?h=300&w=458 "2-[(4-Methoxyphenyl)sulfanyl]-1,3,5-trimethylbenzene")
