| SpectraBase Spectrum ID |
AIYoknaMCVm |
| Name |
Glutaric acid, 1,1,1-trifluoroprop-2-yl neryl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.186143834 u |
| Formula |
C18H27F3O4 |
| InChI |
InChI=1S/C18H27F3O4/c1-13(2)7-5-8-14(3)11-12-24-16(22)9-6-10-17(23)25-15(4)18(19,20)21/h7,11,15H,5-6,8-10,12H2,1-4H3/b14-11- |
| InChIKey |
ZYDFPRXBORYNFO-KAMYIIQDSA-N |
| Molecular Weight |
364.405 g/mol |
| SMILES |
C(CCC(OC(C)C(F)(F)F)=O)C(OC\C=C\(C)CCC=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816074 |
