| SpectraBase Spectrum ID |
8WHSvpfk9Sq |
| Name |
Succinic acid, 1,1,1-trifluoroprop-2-yl 3-methylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.139193641 u |
| Formula |
C13H21F3O4 |
| InChI |
InChI=1S/C13H21F3O4/c1-4-9(2)7-8-19-11(17)5-6-12(18)20-10(3)13(14,15)16/h9-10H,4-8H2,1-3H3 |
| InChIKey |
YJDGYZSXFCPVBH-UHFFFAOYSA-N |
| Molecular Weight |
298.302 g/mol |
| SMILES |
C(CC(OC(C)C(F)(F)F)=O)C(OCCC(C)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870094 |
