| SpectraBase Spectrum ID |
CZzTTjRnd4A |
| Name |
3-Benzyl-3-methyl-5-(T-butyl)-2(3H)-thiophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.123486437 u |
| Formula |
C16H20OS |
| InChI |
InChI=1S/C16H20OS/c1-15(2,3)13-11-16(4,14(17)18-13)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3 |
| InChIKey |
DVKLRMGYLDSJEP-UHFFFAOYSA-N |
| Molecular Weight |
260.395 g/mol |
| Nominal Mass |
260 u |
| SMILES |
C=1(SC(C(C1)(CC=1C=CC=CC1)C)=O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884858 |
