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Sebacic acid, ethyl phenyl ester

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

Sebacic acid, ethyl phenyl ester
SpectraBase Compound ID 9ehNSyn3fA9
InChI InChI=1S/C18H26O4/c1-2-21-17(19)14-10-5-3-4-6-11-15-18(20)22-16-12-8-7-9-13-16/h7-9,12-13H,2-6,10-11,14-15H2,1H3
InChIKey OUMXYLSUMVEGSJ-UHFFFAOYSA-N
Mol Weight 306.4 g/mol
Molecular Formula C18H26O4
Exact Mass 306.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ECqJivvBp30
Name Sebacic acid, ethyl phenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.183109313 u
Formula C18H26O4
InChI InChI=1S/C18H26O4/c1-2-21-17(19)14-10-5-3-4-6-11-15-18(20)22-16-12-8-7-9-13-16/h7-9,12-13H,2-6,10-11,14-15H2,1H3
InChIKey OUMXYLSUMVEGSJ-UHFFFAOYSA-N
Molecular Weight 306.402 g/mol
SMILES C(CCCCC(OC1=CC=CC=C1)=O)CCCC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977141