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Fumaric acid, decyl neopentyl ester

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

Fumaric acid, decyl neopentyl ester
SpectraBase Compound ID GOIWfOtqrit
InChI InChI=1S/C19H34O4/c1-5-6-7-8-9-10-11-12-15-22-17(20)13-14-18(21)23-16-19(2,3)4/h13-14H,5-12,15-16H2,1-4H3/b14-13+
InChIKey ILGYSFNEALTXFX-BUHFOSPRSA-N
Mol Weight 326.5 g/mol
Molecular Formula C19H34O4
Exact Mass 326.24571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9kKKkNkBUmk
Name Fumaric acid, decyl neopentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.245709571 u
Formula C19H34O4
InChI InChI=1S/C19H34O4/c1-5-6-7-8-9-10-11-12-15-22-17(20)13-14-18(21)23-16-19(2,3)4/h13-14H,5-12,15-16H2,1-4H3/b14-13+
InChIKey ILGYSFNEALTXFX-BUHFOSPRSA-N
Molecular Weight 326.477 g/mol
SMILES CCCCCCCCCCOC(\C=C\C(OCC(C)(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942909