| SpectraBase Spectrum ID |
3BP2t05LjbC |
| Name |
Glutaric acid, (2-methylcyclohex-1-enyl)methyl 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 |
336.154843706 u |
| Formula |
C16H23F3O4 |
| InChI |
InChI=1S/C16H23F3O4/c1-11-6-3-4-7-13(11)10-22-14(20)8-5-9-15(21)23-12(2)16(17,18)19/h12H,3-10H2,1-2H3 |
| InChIKey |
XJSGKRQDRAFMQI-UHFFFAOYSA-N |
| Molecular Weight |
336.351 g/mol |
| SMILES |
C(CCC(OC(C)C(F)(F)F)=O)C(OCC1=C(C)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979352 |
