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2-Azabicyclo[4.2.0]octa-3,7-diene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester, cis-
SpectraBase Compound ID 1Fd3jUgucWz
InChI InChI=1S/C27H28N2O5/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 HQEUYRFKLPKHEJ-UHFFFAOYSA-N
Mol Weight 460.53 g/mol
Molecular Formula C27H28N2O5
Exact Mass 460.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGzCaamsXFh
Name 2-Azabicyclo[4.2.0]octa-3,7-diene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester, cis-
CAS Registry Number 34845-01-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28N2O5
InChI InChI=1S/C27H28N2O5/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 HQEUYRFKLPKHEJ-UHFFFAOYSA-N
Molecular Weight 460.530 g/mol
SMILES CCN(c1ccccc1)C(C=1CC2C(C(=C2C(=O)OC)C(=O)OC)N(C1)Cc1ccccc1)=O
SPLASH splash10-0006-0609000000-406f31d406ae76b5839b
Source of Spectrum W5-35834-29702-29702
Synonyms Dimethyl 2-benzyl-4-[(ethylanilino)carbonyl]-2-azabicyclo[4.2.0]octa-3,7-diene-7,8-dicarboxylate 3-[(N-ethylanilino)-oxomethyl]-5-(phenylmethyl)-5-azabicyclo[4.2.0]octa-3,7-diene-7,8-dicarboxylic acid dimethyl ester 5-Benzyl-3-[ethyl(phenyl)carbamoyl]-5-azabicyclo[4.2.0]octa-3,7-diene-7,8-dicarboxylic acid dimethyl ester Dimethyl 3-[ethyl(phenyl)carbamoyl]-5-(phenylmethyl)-5-azabicyclo[4.2.0]octa-3,7-diene-7,8-dicarboxylate Dimethyl 5-benzyl-3-[ethyl(phenyl)carbamoyl]-5-azabicyclo[4.2.0]octa-3,7-diene-7,8-dicarboxylate
Wiley ID 1390537