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2,5-bis(Propylamino)-1,4-cyclohexadiene-1,4-dicarboxylic acid, diethyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

2,5-bis(Propylamino)-1,4-cyclohexadiene-1,4-dicarboxylic acid, diethyl ester
SpectraBase Compound ID 4eAcBU2V2dI
InChI InChI=1S/C18H30N2O4/c1-5-9-19-15-11-14(18(22)24-8-4)16(20-10-6-2)12-13(15)17(21)23-7-3/h19-20H,5-12H2,1-4H3
InChIKey VFOMWLRJVBATHF-UHFFFAOYSA-N
Mol Weight 338.45 g/mol
Molecular Formula C18H30N2O4
Exact Mass 338.220557 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID DBFSbKD9EnA
Name 2,5-bis(Propylamino)-1,4-cyclohexadiene-1,4-dicarboxylic acid, diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.220557450 u
Formula C18H30N2O4
InChI InChI=1S/C18H30N2O4/c1-5-9-19-15-11-14(18(22)24-8-4)16(20-10-6-2)12-13(15)17(21)23-7-3/h19-20H,5-12H2,1-4H3
InChIKey VFOMWLRJVBATHF-UHFFFAOYSA-N
SMILES N(C=1CC(=C(CC1C(OCC)=O)NCCC)C(OCC)=O)CCC
Spectrum/Structure Validation Score (Raman) 0.894835