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Sebacic acid, pentyl 3-phenylallyl ester

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

Sebacic acid, pentyl 3-phenylallyl ester
SpectraBase Compound ID KIFey2K9MYT
InChI InChI=1S/C24H36O4/c1-2-3-13-20-27-23(25)18-11-6-4-5-7-12-19-24(26)28-21-14-17-22-15-9-8-10-16-22/h8-10,14-17H,2-7,11-13,18-21H2,1H3/b17-14+
InChIKey REOLQHOZIHRLRJ-SAPNQHFASA-N
Mol Weight 388.5 g/mol
Molecular Formula C24H36O4
Exact Mass 388.26136 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6yBanqEQ2kT
Name Sebacic acid, pentyl 3-phenylallyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.261359635 u
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-2-3-13-20-27-23(25)18-11-6-4-5-7-12-19-24(26)28-21-14-17-22-15-9-8-10-16-22/h8-10,14-17H,2-7,11-13,18-21H2,1H3/b17-14+
InChIKey REOLQHOZIHRLRJ-SAPNQHFASA-N
Molecular Weight 388.548 g/mol
SMILES C(C(OC\C=C\C1=CC=CC=C1)=O)CCCCCCCC(OCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882325