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2-Butenedioic acid, 2,3-bis[(2,4-dimethylphenyl)amino]-, dimethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Butenedioic acid, 2,3-bis[(2,4-dimethylphenyl)amino]-, dimethyl ester
SpectraBase Compound ID HGMn9cLF9BK
InChI InChI=1S/C22H26N2O4/c1-13-7-9-17(15(3)11-13)23-19(21(25)27-5)20(22(26)28-6)24-18-10-8-14(2)12-16(18)4/h7-12,23-24H,1-6H3/b20-19+
InChIKey LVALIKPQUKMJLW-FMQUCBEESA-N
Mol Weight 382.46 g/mol
Molecular Formula C22H26N2O4
Exact Mass 382.189257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5l1iyQM6FWS
Name 2-Butenedioic acid, 2,3-bis[(2,4-dimethylphenyl)amino]-, dimethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.189257321 u
Formula C22H26N2O4
InChI InChI=1S/C22H26N2O4/c1-13-7-9-17(15(3)11-13)23-19(21(25)27-5)20(22(26)28-6)24-18-10-8-14(2)12-16(18)4/h7-12,23-24H,1-6H3/b20-19+
InChIKey LVALIKPQUKMJLW-FMQUCBEESA-N
Molecular Weight 382.460 g/mol
SMILES C=1(N\C(=C/(C(OC)=O)NC2=C(C=C(C=C2)C)C)C(=O)OC)C=CC(C)=CC1C