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Sebacic acid, tetrahydrofurfuryl propyl ester

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

Sebacic acid, tetrahydrofurfuryl propyl ester
SpectraBase Compound ID Cd0inoLAedF
InChI InChI=1S/C18H32O5/c1-2-13-22-17(19)11-7-5-3-4-6-8-12-18(20)23-15-16-10-9-14-21-16/h16H,2-15H2,1H3
InChIKey NWUGERRMNQBYOE-UHFFFAOYSA-N
Mol Weight 328.4 g/mol
Molecular Formula C18H32O5
Exact Mass 328.224974 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JfBGlVHcm49
Name Sebacic acid, tetrahydrofurfuryl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.224974125 u
Formula C18H32O5
InChI InChI=1S/C18H32O5/c1-2-13-22-17(19)11-7-5-3-4-6-8-12-18(20)23-15-16-10-9-14-21-16/h16H,2-15H2,1H3
InChIKey NWUGERRMNQBYOE-UHFFFAOYSA-N
Molecular Weight 328.449 g/mol
SMILES C(CCCCC(OCC1OCCC1)=O)CCCC(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.993783