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Adipic acid, butyl pent-4-enyl ester

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

Adipic acid, butyl pent-4-enyl ester
SpectraBase Compound ID 6M7Em1ioP4A
InChI InChI=1S/C15H26O4/c1-3-5-9-13-19-15(17)11-8-7-10-14(16)18-12-6-4-2/h3H,1,4-13H2,2H3
InChIKey NPCNERQMEQKTQO-UHFFFAOYSA-N
Mol Weight 270.37 g/mol
Molecular Formula C15H26O4
Exact Mass 270.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BR5BOeX8L2A
Name Adipic acid, butyl pent-4-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.183109313 u
Formula C15H26O4
InChI InChI=1S/C15H26O4/c1-3-5-9-13-19-15(17)11-8-7-10-14(16)18-12-6-4-2/h3H,1,4-13H2,2H3
InChIKey NPCNERQMEQKTQO-UHFFFAOYSA-N
Molecular Weight 270.369 g/mol
SMILES C(CCC(OCCCC=C)=O)CC(OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.873735