| SpectraBase Spectrum ID |
DnQXbfcw1Wn |
| Name |
Succinic acid, phenethyl 2,2,3,3,4,4,4-heptafluorobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.085856100 u |
| Formula |
C16H15F7O4 |
| InChI |
InChI=1S/C16H15F7O4/c17-14(18,15(19,20)16(21,22)23)10-27-13(25)7-6-12(24)26-9-8-11-4-2-1-3-5-11/h1-5H,6-10H2 |
| InChIKey |
SLNYNXNPQFBTJC-UHFFFAOYSA-N |
| Molecular Weight |
404.281 g/mol |
| SMILES |
C1=C(C=CC=C1)CCOC(=O)CCC(=O)OCC(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976359 |
