| SpectraBase Spectrum ID |
LCFnuLKhZeZ |
| Name |
Succinic acid, 4-cyanophenyl 3-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.075036029 u |
| Formula |
C17H12FNO4 |
| InChI |
InChI=1S/C17H12FNO4/c18-13-2-1-3-15(10-13)23-17(21)9-8-16(20)22-14-6-4-12(11-19)5-7-14/h1-7,10H,8-9H2 |
| InChIKey |
MWCYYVAWHOAGSB-UHFFFAOYSA-N |
| Molecular Weight |
313.284 g/mol |
| SMILES |
C1=C(C=CC(=C1)OC(CCC(=O)OC1=CC=CC(=C1)F)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900241 |
