| SpectraBase Spectrum ID |
DvY24H9Jd6k |
| Name |
Succinic acid, 1,1,1-trifluoroprop-2-yl 4-heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.154843706 u |
| Formula |
C14H23F3O4 |
| InChI |
InChI=1S/C14H23F3O4/c1-4-6-11(7-5-2)21-13(19)9-8-12(18)20-10(3)14(15,16)17/h10-11H,4-9H2,1-3H3 |
| InChIKey |
KDZMMJHYJAJQIL-UHFFFAOYSA-N |
| Molecular Weight |
312.329 g/mol |
| SMILES |
C(CC(OC(C)C(F)(F)F)=O)C(OC(CCC)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815561 |
