| SpectraBase Spectrum ID |
AVW5kteDQro |
| Name |
Benzenemethanol, 2-bromo-.alpha.-(mercaptomethyl)-.alpha.-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.971399147 u |
| Formula |
C9H11BrOS |
| InChI |
InChI=1S/C9H11BrOS/c10-9-4-2-1-3-8(9)7(5-11)6-12/h1-4,7,11-12H,5-6H2 |
| InChIKey |
LATVRFANQRDPCK-UHFFFAOYSA-N |
| Molecular Weight |
247.150 g/mol |
| SMILES |
C=1(C(Br)=CC=CC1)C(CS)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951368 |
