| SpectraBase Spectrum ID |
Bd4d25FuoNh |
| Name |
Glutaric acid, monochloride, 4-bromophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.950184879 u |
| Formula |
C11H10BrClO3 |
| InChI |
InChI=1S/C11H10BrClO3/c12-8-4-6-9(7-5-8)16-11(15)3-1-2-10(13)14/h4-7H,1-3H2 |
| InChIKey |
AOWDQVYPNSNHTI-UHFFFAOYSA-N |
| Molecular Weight |
305.555 g/mol |
| SMILES |
C1(=CC=C(OC(=O)CCCC(Cl)=O)C=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887383 |
