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Pyrazinecarboxylic acid, 1,2,3,6-tetrahydro-3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]-6-oxo-, methyl ester
SpectraBase Compound ID 6WcwR7wklVD
InChI InChI=1S/C21H22N2O3/c1-13-4-8-15(9-5-13)12-17-20(24)23-19(21(25)26-3)18(22-17)16-10-6-14(2)7-11-16/h4-11,18-19H,12H2,1-3H3,(H,23,24)
InChIKey FWBPDAWUBYZTGY-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C21H22N2O3
Exact Mass 350.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mO4NT3iAtN
Name Pyrazinecarboxylic acid, 1,2,3,6-tetrahydro-3-(4-methylphenyl)-5-[(4-methylphenyl)methyl]-6-oxo-, methyl ester
CAS Registry Number 102245-12-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O3
InChI InChI=1S/C21H22N2O3/c1-13-4-8-15(9-5-13)12-17-20(24)23-19(21(25)26-3)18(22-17)16-10-6-14(2)7-11-16/h4-11,18-19H,12H2,1-3H3,(H,23,24)
InChIKey FWBPDAWUBYZTGY-UHFFFAOYSA-N
Molecular Weight 350.418 g/mol
SMILES N1C(C(N=C(C1=O)Cc1ccc(cc1)C)c1ccc(cc1)C)C(=O)OC
SPLASH splash10-0a4i-0901000000-f9f2539cdc6b6cb1f1a1
Source of Spectrum AH-116-1140-6
Synonyms 3-Benzyl-5-phenyl-6-methoxycarbonyl-1,5,6-trihydro-pyrazine-2-one Methyl 5-(4-methylbenzyl)-3-(4-methylphenyl)-6-oxo-1,2,3,6-tetrahydro-2-pyrazinecarboxylate
Wiley ID 1342078