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Dimethyl 2-benzyl-4-[(ethylanilino)carbonyl]-2-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylate
SpectraBase Compound ID 4P3OOSzZObB
InChI InChI=1S/C27H30N2O5/c1-4-29(20-13-9-6-10-14-20)25(30)19-15-21-22(26(31)33-2)23(27(32)34-3)24(21)28(17-19)16-18-11-7-5-8-12-18/h5-14,17,21-24H,4,15-16H2,1-3H3
InChIKey XMWBJZDABKOKLH-UHFFFAOYSA-N
Mol Weight 462.55 g/mol
Molecular Formula C27H30N2O5
Exact Mass 462.215472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4tSEEpI0Eb
Name Dimethyl 2-benzyl-4-[(ethylanilino)carbonyl]-2-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylate
CAS Registry Number 39713-19-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N2O5
InChI InChI=1S/C27H30N2O5/c1-4-29(20-13-9-6-10-14-20)25(30)19-15-21-22(26(31)33-2)23(27(32)34-3)24(21)28(17-19)16-18-11-7-5-8-12-18/h5-14,17,21-24H,4,15-16H2,1-3H3
InChIKey XMWBJZDABKOKLH-UHFFFAOYSA-N
Molecular Weight 462.546 g/mol
SMILES CCN(c1ccccc1)C(C=1CC2C(C(C2N(C1)Cc1ccccc1)C(=O)OC)C(=O)OC)=O
SPLASH splash10-0006-0229000000-af0952bde659ad8c25d9
Source of Spectrum W5-35890-29646-29646
Synonyms 2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester 3-[(N-ethylanilino)-oxomethyl]-5-(phenylmethyl)-5-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid dimethyl ester 5-Benzyl-3-[ethyl(phenyl)carbamoyl]-5-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid dimethyl ester Dimethyl 3-[ethyl(phenyl)carbamoyl]-5-(phenylmethyl)-5-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylate Dimethyl 5-benzyl-3-[ethyl(phenyl)carbamoyl]-5-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylate
Wiley ID 1391104