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Sebacic acid, butyl tetrahydrofurfuryl ester

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

Sebacic acid, butyl tetrahydrofurfuryl ester
SpectraBase Compound ID E3qYl25i0q1
InChI InChI=1S/C19H34O5/c1-2-3-14-23-18(20)12-8-6-4-5-7-9-13-19(21)24-16-17-11-10-15-22-17/h17H,2-16H2,1H3
InChIKey MGMDAVCFDRXXFT-UHFFFAOYSA-N
Mol Weight 342.5 g/mol
Molecular Formula C19H34O5
Exact Mass 342.240624 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9imvQHi1qXy
Name Sebacic acid, butyl tetrahydrofurfuryl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.240624190 u
Formula C19H34O5
InChI InChI=1S/C19H34O5/c1-2-3-14-23-18(20)12-8-6-4-5-7-9-13-19(21)24-16-17-11-10-15-22-17/h17H,2-16H2,1H3
InChIKey MGMDAVCFDRXXFT-UHFFFAOYSA-N
Molecular Weight 342.476 g/mol
SMILES C1(CCCO1)COC(CCCCCCCCC(OCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.98911