| SpectraBase Spectrum ID |
2V6xLvTpOBJ |
| Name |
Glutaric acid, 2,2,3,3-tetrafluoropropyl neryl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.176721965 u |
| Formula |
C18H26F4O4 |
| InChI |
InChI=1S/C18H26F4O4/c1-13(2)6-4-7-14(3)10-11-25-15(23)8-5-9-16(24)26-12-18(21,22)17(19)20/h6,10,17H,4-5,7-9,11-12H2,1-3H3/b14-10- |
| InChIKey |
ZSNBHKODVUBKAM-UVTDQMKNSA-N |
| Molecular Weight |
382.396 g/mol |
| SMILES |
C(CCC(OCC(C(F)F)(F)F)=O)C(OC\C=C\(C)CCC=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970149 |
