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2-Azabicyclo[2.2.2]oct-7-ene-5,6-dicarboxylic acid, 2-(1-methoxy-2-phenylethyl)-3-oxo-, dimethyl ester
SpectraBase Compound ID CIJrmuK9n85
InChI InChI=1S/C20H23NO6/c1-25-15(11-12-7-5-4-6-8-12)21-14-10-9-13(18(21)22)16(19(23)26-2)17(14)20(24)27-3/h4-10,13-17H,11H2,1-3H3
InChIKey VOIBSOAKQMUHPX-UHFFFAOYSA-N
Mol Weight 373.41 g/mol
Molecular Formula C20H23NO6
Exact Mass 373.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtbEmgqVgww
Name 2-Azabicyclo[2.2.2]oct-7-ene-5,6-dicarboxylic acid, 2-(1-methoxy-2-phenylethyl)-3-oxo-, dimethyl ester
CAS Registry Number 69914-06-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO6
InChI InChI=1S/C20H23NO6/c1-25-15(11-12-7-5-4-6-8-12)21-14-10-9-13(18(21)22)16(19(23)26-2)17(14)20(24)27-3/h4-10,13-17H,11H2,1-3H3
InChIKey VOIBSOAKQMUHPX-UHFFFAOYSA-N
Molecular Weight 373.405 g/mol
SMILES C1(N(C2C=CC1C(C2C(=O)OC)C(=O)OC)C(Cc1ccccc1)OC)=O
SPLASH splash10-001r-4390000000-7a3a5d5e0094640e5a63
Source of Spectrum F-34-2623-26
Synonyms Dimethyl 2-(1-methoxy-2-phenylethyl)-3-oxo-2-azabicyclo[2.2.2]oct-7-ene-5,6-dicarboxylate Dimethyl2-(1-methoxy-2-phenyleth-1-yl)2azabicyclo(2.2.2)oct-7-en-3-one-5,6-dicarboxylate
Wiley ID 1356084