| SpectraBase Spectrum ID |
GkZYNGkztAv |
| Name |
Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-methylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.154843706 u |
| Formula |
C14H23F3O4 |
| InChI |
InChI=1S/C14H23F3O4/c1-4-6-10(2)9-20-12(18)7-5-8-13(19)21-11(3)14(15,16)17/h10-11H,4-9H2,1-3H3 |
| InChIKey |
KRUDGTXXRAAWCB-UHFFFAOYSA-N |
| Molecular Weight |
312.329 g/mol |
| SMILES |
C(CCC(OC(C)C(F)(F)F)=O)C(OCC(CCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802086 |
