| SpectraBase Spectrum ID |
AIrsrfYd6Os |
| Name |
Succinic acid, 4-bromophenethyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.062322152 u |
| Formula |
C16H21BrO4 |
| InChI |
InChI=1S/C16H21BrO4/c1-12(2)11-21-16(19)8-7-15(18)20-10-9-13-3-5-14(17)6-4-13/h3-6,12H,7-11H2,1-2H3 |
| InChIKey |
LSORMESADRYXSA-UHFFFAOYSA-N |
| Molecular Weight |
357.244 g/mol |
| SMILES |
C(CCC(OCCC1=CC=C(C=C1)Br)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888802 |
