| SpectraBase Spectrum ID |
Fy4j6HOjeHR |
| Name |
Succinic acid, 4-bromo-2,6-difluorobenzyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.996528221 u |
| Formula |
C13H13BrF2O4 |
| InChI |
InChI=1S/C13H13BrF2O4/c1-2-19-12(17)3-4-13(18)20-7-9-10(15)5-8(14)6-11(9)16/h5-6H,2-4,7H2,1H3 |
| InChIKey |
ZWDFVAXBVABPDC-UHFFFAOYSA-N |
| Molecular Weight |
351.144 g/mol |
| SMILES |
C(CCC(OCC1=C(C=C(C=C1F)Br)F)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858402 |
