| SpectraBase Spectrum ID |
JO4J3LQKFVt |
| Name |
Succinic acid, 3,5-dimethylphenyl 3-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.111087186 u |
| Formula |
C18H17FO4 |
| InChI |
InChI=1S/C18H17FO4/c1-12-8-13(2)10-16(9-12)23-18(21)7-6-17(20)22-15-5-3-4-14(19)11-15/h3-5,8-11H,6-7H2,1-2H3 |
| InChIKey |
NAXJMCBACSJEKH-UHFFFAOYSA-N |
| Molecular Weight |
316.328 g/mol |
| SMILES |
CC1=CC(=CC(=C1)OC(CCC(=O)OC1=CC=CC(=C1)F)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935243 |
