| SpectraBase Spectrum ID |
Xpfo7vNamq |
| Name |
Glutaric acid, hex-2-en-1-yl 1,1,1-trifluoroprop-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.139193641 u |
| Formula |
C14H21F3O4 |
| InChI |
InChI=1S/C14H21F3O4/c1-3-4-5-6-10-20-12(18)8-7-9-13(19)21-11(2)14(15,16)17/h5-6,11H,3-4,7-10H2,1-2H3/b6-5+ |
| InChIKey |
YQNKPNMKJMFEOE-AATRIKPKSA-N |
| Molecular Weight |
310.313 g/mol |
| SMILES |
C(CCC(OC(C)C(F)(F)F)=O)C(OC\C=C\CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843832 |
