| SpectraBase Spectrum ID |
K7qkC143Yb5 |
| Name |
Succinic acid, 3,4-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/c1-12-6-7-16(10-13(12)2)23-18(21)9-8-17(20)22-15-5-3-4-14(19)11-15/h3-7,10-11H,8-9H2,1-2H3 |
| InChIKey |
ONSZBYABVUYXOH-UHFFFAOYSA-N |
| Molecular Weight |
316.328 g/mol |
| SMILES |
C1=C(C=C(C(=C1)C)C)OC(=O)CCC(=O)OC1=CC=CC(=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926366 |
