| SpectraBase Spectrum ID |
9I0xP4v2WCp |
| Name |
Glutaric acid, (2-methylcyclohex-1-enyl)methyl 2,2,3,3-tetrafluoropropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.145421836 u |
| Formula |
C16H22F4O4 |
| InChI |
InChI=1S/C16H22F4O4/c1-11-5-2-3-6-12(11)9-23-13(21)7-4-8-14(22)24-10-16(19,20)15(17)18/h15H,2-10H2,1H3 |
| InChIKey |
NGSVOBXUWVVTJX-UHFFFAOYSA-N |
| Molecular Weight |
354.342 g/mol |
| SMILES |
C(CCC(OCC(C(F)F)(F)F)=O)C(OCC1=C(C)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941176 |
