| SpectraBase Spectrum ID |
4Brx5T7igar |
| Name |
Succinic acid, 2-methylphenyl 3-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.095437122 u |
| Formula |
C17H15FO4 |
| InChI |
InChI=1S/C17H15FO4/c1-12-5-2-3-8-15(12)22-17(20)10-9-16(19)21-14-7-4-6-13(18)11-14/h2-8,11H,9-10H2,1H3 |
| InChIKey |
QHJJPLFXTLKRDO-UHFFFAOYSA-N |
| Molecular Weight |
302.301 g/mol |
| SMILES |
C1=CC=C(C=C1F)OC(CCC(OC1=CC=CC=C1C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959579 |
