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Succinic acid, 2,2,3,3-tetrafluoropropyl neopentyl ester

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

Succinic acid, 2,2,3,3-tetrafluoropropyl neopentyl ester
SpectraBase Compound ID 28ZuRQ1Q7NH
InChI InChI=1S/C12H18F4O4/c1-11(2,3)6-19-8(17)4-5-9(18)20-7-12(15,16)10(13)14/h10H,4-7H2,1-3H3
InChIKey HNPBHJQTRCOOMW-UHFFFAOYSA-N
Mol Weight 302.27 g/mol
Molecular Formula C12H18F4O4
Exact Mass 302.114122 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 13fpvmaFx3v
Name Succinic acid, 2,2,3,3-tetrafluoropropyl neopentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.114121708 u
Formula C12H18F4O4
InChI InChI=1S/C12H18F4O4/c1-11(2,3)6-19-8(17)4-5-9(18)20-7-12(15,16)10(13)14/h10H,4-7H2,1-3H3
InChIKey HNPBHJQTRCOOMW-UHFFFAOYSA-N
Molecular Weight 302.266 g/mol
SMILES C(CC(OCC(C(F)F)(F)F)=O)C(OCC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968774