| SpectraBase Spectrum ID |
B9XorctQjY8 |
| Name |
Succinic acid, 2-bromo-4-fluorophenyl 2-ethoxyethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.016514773 u |
| Formula |
C14H16BrFO5 |
| InChI |
InChI=1S/C14H16BrFO5/c1-2-19-7-8-20-13(17)5-6-14(18)21-12-4-3-10(16)9-11(12)15/h3-4,9H,2,5-8H2,1H3 |
| InChIKey |
PBWMJRQNUFFVEI-UHFFFAOYSA-N |
| Molecular Weight |
363.179 g/mol |
| SMILES |
CCOCCOC(CCC(OC1=CC=C(C=C1Br)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931882 |
