| SpectraBase Spectrum ID |
3Wb6jtgak1e |
| Name |
1,2-Benzenediol, o-(2-bromopropionyl)-o'-(3-methylbenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.015371959 u |
| Formula |
C17H15BrO4 |
| InChI |
InChI=1S/C17H15BrO4/c1-11-6-5-7-13(10-11)17(20)22-15-9-4-3-8-14(15)21-16(19)12(2)18/h3-10,12H,1-2H3 |
| InChIKey |
MQSFHTOWVBAWCD-UHFFFAOYSA-N |
| Molecular Weight |
363.207 g/mol |
| SMILES |
CC1=CC=CC(=C1)C(OC=1C(=CC=CC1)OC(C(Br)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938532 |
