| SpectraBase Spectrum ID |
AOPiWy9tqIg |
| Name |
Glutaric acid, 3-methylbut-2-en-1-yl 4-bromo-2-methoxyphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.057236771 u |
| Formula |
C17H21BrO5 |
| InChI |
InChI=1S/C17H21BrO5/c1-12(2)9-10-22-16(19)5-4-6-17(20)23-14-8-7-13(18)11-15(14)21-3/h7-9,11H,4-6,10H2,1-3H3 |
| InChIKey |
BTYZZBCXLBNKHY-UHFFFAOYSA-N |
| Molecular Weight |
385.254 g/mol |
| SMILES |
C(CCC(OCC=C(C)C)=O)C(OC1=CC=C(C=C1OC)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860285 |
