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Sebacic acid, butyl 2-phenoxyethyl ester

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

Sebacic acid, butyl 2-phenoxyethyl ester
SpectraBase Compound ID Dbr5DiC7KSe
InChI InChI=1S/C22H34O5/c1-2-3-17-26-21(23)15-11-6-4-5-7-12-16-22(24)27-19-18-25-20-13-9-8-10-14-20/h8-10,13-14H,2-7,11-12,15-19H2,1H3
InChIKey OMIDJFJLDYOFOZ-UHFFFAOYSA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 41pIr6Dpwqu
Name Sebacic acid, butyl 2-phenoxyethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.240624190 u
Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-2-3-17-26-21(23)15-11-6-4-5-7-12-16-22(24)27-19-18-25-20-13-9-8-10-14-20/h8-10,13-14H,2-7,11-12,15-19H2,1H3
InChIKey OMIDJFJLDYOFOZ-UHFFFAOYSA-N
Molecular Weight 378.509 g/mol
SMILES C(CCCCCCC(OCCCC)=O)CC(OCCOC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90999