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Succinic acid, 1,1,1-trifluoroprop-2-yl 2-methylbutyl ester

View entire compound with spectra: 1 FTIR

Succinic acid, 1,1,1-trifluoroprop-2-yl 2-methylbutyl ester
SpectraBase Compound ID 1VG0vaanE0b
InChI InChI=1S/C12H19F3O4/c1-4-8(2)7-18-10(16)5-6-11(17)19-9(3)12(13,14)15/h8-9H,4-7H2,1-3H3
InChIKey QMRCUCNKNFELMG-UHFFFAOYSA-N
Mol Weight 284.28 g/mol
Molecular Formula C12H19F3O4
Exact Mass 284.123544 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AlXhX6R1jgz
Name Succinic acid, 1,1,1-trifluoroprop-2-yl 2-methylbutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.123543577 u
Formula C12H19F3O4
InChI InChI=1S/C12H19F3O4/c1-4-8(2)7-18-10(16)5-6-11(17)19-9(3)12(13,14)15/h8-9H,4-7H2,1-3H3
InChIKey QMRCUCNKNFELMG-UHFFFAOYSA-N
Molecular Weight 284.275 g/mol
SMILES C(CC(OC(C)C(F)(F)F)=O)C(OCC(CC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922924