| SpectraBase Spectrum ID |
7RLIfKlSnIz |
| Name |
Glutaric acid, 1,1,1-trifluoroprop-2-yl neopentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.139193641 u |
| Formula |
C13H21F3O4 |
| InChI |
InChI=1S/C13H21F3O4/c1-9(13(14,15)16)20-11(18)7-5-6-10(17)19-8-12(2,3)4/h9H,5-8H2,1-4H3 |
| InChIKey |
HSHBFZWBLPTFQT-UHFFFAOYSA-N |
| Molecular Weight |
298.302 g/mol |
| SMILES |
C(CCC(OC(C)C(F)(F)F)=O)C(OCC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858101 |
