| SpectraBase Spectrum ID |
2sdr9ApkoSx |
| Name |
2-(2-Bromophenyl)-2-methylpropanoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
241.994242592 u |
| Formula |
C10H11BrO2 |
| InChI |
InChI=1S/C10H11BrO2/c1-10(2,9(12)13)7-5-3-4-6-8(7)11/h3-6H,1-2H3,(H,12,13) |
| InChIKey |
FLSGJYHPNFXLSS-UHFFFAOYSA-N |
| Molecular Weight |
243.100 g/mol |
| SMILES |
C(C=1C(Br)=CC=CC1)(C(=O)O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846205 |