| SpectraBase Spectrum ID |
6NOt1s7aJgj |
| Name |
Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,4,4-trimethylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.186143834 u |
| Formula |
C16H27F3O4 |
| InChI |
InChI=1S/C16H27F3O4/c1-11(9-15(3,4)5)10-22-13(20)7-6-8-14(21)23-12(2)16(17,18)19/h11-12H,6-10H2,1-5H3 |
| InChIKey |
VYEYVFHAYPBWEX-UHFFFAOYSA-N |
| Molecular Weight |
340.383 g/mol |
| SMILES |
C(CCC(OC(C)C(F)(F)F)=O)C(OCC(CC(C)(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918209 |
