| SpectraBase Spectrum ID |
3DnHfvriMbP |
| Name |
o-4'-Bromo-4-biphenyl S-methyl dithiocarbonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.943470321 u |
| Formula |
C14H11BrOS2 |
| InChI |
InChI=1S/C14H11BrOS2/c1-18-14(17)16-13-8-4-11(5-9-13)10-2-6-12(15)7-3-10/h2-9H,1H3 |
| InChIKey |
WTUJKYBXHROIBA-UHFFFAOYSA-N |
| Molecular Weight |
339.265 g/mol |
| SMILES |
C(=S)(OC1=CC=C(C2=CC=C(C=C2)Br)C=C1)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891789 |
