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Sebacic acid, ethyl 2-naphthyl ester

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

Sebacic acid, ethyl 2-naphthyl ester
SpectraBase Compound ID AOOck8EhdOD
InChI InChI=1S/C22H28O4/c1-2-25-21(23)13-7-5-3-4-6-8-14-22(24)26-20-16-15-18-11-9-10-12-19(18)17-20/h9-12,15-17H,2-8,13-14H2,1H3
InChIKey ODTAHMXIURIBSR-UHFFFAOYSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 84HhID4iirs
Name Sebacic acid, ethyl 2-naphthyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.198759378 u
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-2-25-21(23)13-7-5-3-4-6-8-14-22(24)26-20-16-15-18-11-9-10-12-19(18)17-20/h9-12,15-17H,2-8,13-14H2,1H3
InChIKey ODTAHMXIURIBSR-UHFFFAOYSA-N
Molecular Weight 356.462 g/mol
SMILES C(CCCCCCCC(OC=1C=C2C=CC=CC2=CC1)=O)C(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876458