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Adipic acid, di(but-2-en-1-yl) ester

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

Adipic acid, di(but-2-en-1-yl) ester
SpectraBase Compound ID CsOi1VCgHO1
InChI InChI=1S/C14H22O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-6H,7-12H2,1-2H3/b5-3+,6-4+
InChIKey HSWVOHAPIBZKSB-GGWOSOGESA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CFSTjVPCaVv
Name Adipic acid, di(but-2-en-1-yl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.151809184 u
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-6H,7-12H2,1-2H3/b5-3+,6-4+
InChIKey HSWVOHAPIBZKSB-GGWOSOGESA-N
Molecular Weight 254.326 g/mol
SMILES C\C=C\COC(=O)CCCCC(=O)OC\C=C\C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982948