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

View entire compound with spectra: 1 NMR, and 1 FTIR

Succinic acid, 1,1,1-trifluoroprop-2-yl neopentyl ester
SpectraBase Compound ID 3SUrnZdsS6j
InChI InChI=1S/C12H19F3O4/c1-8(12(13,14)15)19-10(17)6-5-9(16)18-7-11(2,3)4/h8H,5-7H2,1-4H3
InChIKey SBEHBMOURMEUHM-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 9vnVgPNgsPl
Name Succinic acid, 1,1,1-trifluoroprop-2-yl neopentyl 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/c1-8(12(13,14)15)19-10(17)6-5-9(16)18-7-11(2,3)4/h8H,5-7H2,1-4H3
InChIKey SBEHBMOURMEUHM-UHFFFAOYSA-N
Molecular Weight 284.275 g/mol
SMILES C(CC(OC(C)C(F)(F)F)=O)C(OCC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931385