| SpectraBase Spectrum ID |
7QThSSRFQrz |
| Name |
Succinic acid, 2,2,3,3-tetrafluoropropyl 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.114121708 u |
| Formula |
C16H18F4O4 |
| InChI |
InChI=1S/C16H18F4O4/c17-15(18)16(19,20)11-24-14(22)9-8-13(21)23-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,15H,4,7-11H2 |
| InChIKey |
ROOPMWIEOGQMQC-UHFFFAOYSA-N |
| Molecular Weight |
350.310 g/mol |
| SMILES |
C(CC(OCC(C(F)F)(F)F)=O)C(OCCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889571 |
