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2,6-Diazabicyclo[2.2.0]hex-5-en-3-one, 5-(1,1-dimethylethyl)-2-methyl-1-[(4-methylphenyl)methyl]-
SpectraBase Compound ID 4HxdQui99FW
InChI InChI=1S/C17H22N2O/c1-11-6-8-12(9-7-11)10-17-13(15(20)19(17)5)14(18-17)16(2,3)4/h6-9,13H,10H2,1-5H3
InChIKey MNAAIRAQAWRAIU-UHFFFAOYSA-N
Mol Weight 270.38 g/mol
Molecular Formula C17H22N2O
Exact Mass 270.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JruRxsSgKLx
Name 2,6-Diazabicyclo[2.2.0]hex-5-en-3-one, 5-(1,1-dimethylethyl)-2-methyl-1-[(4-methylphenyl)methyl]-
CAS Registry Number 108169-00-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O
InChI InChI=1S/C17H22N2O/c1-11-6-8-12(9-7-11)10-17-13(15(20)19(17)5)14(18-17)16(2,3)4/h6-9,13H,10H2,1-5H3
InChIKey MNAAIRAQAWRAIU-UHFFFAOYSA-N
Molecular Weight 270.376 g/mol
SMILES C12(C(C(=N2)C(C)(C)C)C(N1C)=O)Cc1ccc(cc1)C
SPLASH splash10-053r-7980000000-2388e37bb1aa2de1ba00
Source of Spectrum J-52-2464-2
Synonyms 3-tert-Butyl-6-methyl-1-(4-methylbenzyl)-5-oxo-2,6-diazabicyclo[2.2.0]hex-2-ene 5-tert-Butyl-2-methyl-1-(4-methylbenzyl)-2,6-diazabicyclo[2.2.0]hex-5-en-3-one
Wiley ID 1274648