| SpectraBase Spectrum ID |
KRx277rn5vO |
| Name |
Succinic acid, phenyl pentafluorobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.057749645 u |
| Formula |
C17H11F5O4 |
| InChI |
InChI=1S/C17H11F5O4/c18-13-10(14(19)16(21)17(22)15(13)20)8-25-11(23)6-7-12(24)26-9-4-2-1-3-5-9/h1-5H,6-8H2 |
| InChIKey |
PVNQTJMLDZDVHK-UHFFFAOYSA-N |
| Molecular Weight |
374.263 g/mol |
| SMILES |
C1(=C(C(=C(C(=C1F)F)COC(CCC(OC1=CC=CC=C1)=O)=O)F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896411 |
