| SpectraBase Spectrum ID |
1y1gzShk1t2 |
| Name |
2,4,6-tri-T-Butylbenzyl phenyl sulfide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.253772333 u |
| Formula |
C25H36S |
| InChI |
InChI=1S/C25H36S/c1-23(2,3)18-15-21(24(4,5)6)20(22(16-18)25(7,8)9)17-26-19-13-11-10-12-14-19/h10-16H,17H2,1-9H3 |
| InChIKey |
XWXNSBOQSDVUIX-UHFFFAOYSA-N |
| Molecular Weight |
368.623 g/mol |
| SMILES |
C=1(C(=CC(=CC1C(C)(C)C)C(C)(C)C)C(C)(C)C)CSC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869808 |
