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2-(4-methylphenyl)-3,4-diazabicyclo[4.1.0]hept-2-en-5-one
SpectraBase Compound ID 4o3W1oxTKol
InChI InChI=1S/C12H12N2O/c1-7-2-4-8(5-3-7)11-9-6-10(9)12(15)14-13-11/h2-5,9-10H,6H2,1H3,(H,14,15)
InChIKey FGJZERFVRPEDQK-UHFFFAOYSA-N
Mol Weight 200.24 g/mol
Molecular Formula C12H12N2O
Exact Mass 200.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JARlIrytVTb
Name 2-(p-tolyl)-3,4-diazabicyclo[4.1.0]hept-2-en-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O
InChI InChI=1S/C12H12N2O/c1-7-2-4-8(5-3-7)11-9-6-10(9)12(15)14-13-11/h2-5,9-10H,6H2,1H3,(H,14,15)
InChIKey FGJZERFVRPEDQK-UHFFFAOYSA-N
Instrument Name VG Analytical MM 7070E
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290081223
Molecular Weight 200.241 g/mol
SMILES N1N=C(C2C(C1=O)C2)c1ccc(cc1)C
SPLASH splash10-0zfr-8890000000-025dc2a1e9edac6f8dbf
Source of Spectrum RCM-8-1022-1
Wiley ID 1835626