| SpectraBase Spectrum ID |
9RzOe5yqymR |
| Name |
Diethylmalonic acid, butyl 2,2,3,3,3-pentafluoropropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.135999967 u |
| Formula |
C14H21F5O4 |
| InChI |
InChI=1S/C14H21F5O4/c1-4-7-8-22-10(20)12(5-2,6-3)11(21)23-9-13(15,16)14(17,18)19/h4-9H2,1-3H3 |
| InChIKey |
ZBODCMOJWRLIJY-UHFFFAOYSA-N |
| Molecular Weight |
348.310 g/mol |
| SMILES |
C(C(C(OCCCC)=O)(CC)CC)(OCC(F)(F)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873123 |
