| SpectraBase Spectrum ID |
544Bpzu1oSM |
| Name |
Succinic acid, 1,1,1-trifluoroprop-2-yl 2,4-dimethylpent-3-yl 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/c1-8(2)13(9(3)4)21-12(19)7-6-11(18)20-10(5)14(15,16)17/h8-10,13H,6-7H2,1-5H3 |
| InChIKey |
XSIGMHWSUFXFCF-UHFFFAOYSA-N |
| Molecular Weight |
312.329 g/mol |
| SMILES |
C(CC(OC(C)C(F)(F)F)=O)C(OC(C(C)C)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841876 |
