| SpectraBase Spectrum ID |
81gzgvDuaoo |
| Name |
Glutaric acid, 1-(3-bromophenyl)ethyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.077972217 u |
| Formula |
C17H23BrO4 |
| InChI |
InChI=1S/C17H23BrO4/c1-12(2)11-21-16(19)8-5-9-17(20)22-13(3)14-6-4-7-15(18)10-14/h4,6-7,10,12-13H,5,8-9,11H2,1-3H3 |
| InChIKey |
ZOIIVPSMIFLLTP-UHFFFAOYSA-N |
| Molecular Weight |
371.271 g/mol |
| SMILES |
C(OC(C)C1=CC=CC(=C1)Br)(=O)CCCC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852843 |
