| SpectraBase Spectrum ID |
IouRaUoINyS |
| Name |
Glutaric acid, 2,2,3,3-tetrafluoropropyl 3-hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.145421836 u |
| Formula |
C14H22F4O4 |
| InChI |
InChI=1S/C14H22F4O4/c1-3-6-10(4-2)22-12(20)8-5-7-11(19)21-9-14(17,18)13(15)16/h10,13H,3-9H2,1-2H3 |
| InChIKey |
UKLNAXGLNHYTRC-UHFFFAOYSA-N |
| Molecular Weight |
330.320 g/mol |
| SMILES |
C(CCC(OCC(C(F)F)(F)F)=O)C(OC(CCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875161 |
