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4-Methyl-5-[(E)-1-oxobut-2-enyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SpectraBase Compound ID 17yD4vDWJKg
InChI InChI=1S/C14H16N2O2/c1-3-6-14(18)16-10(2)9-13(17)15-11-7-4-5-8-12(11)16/h3-8,10H,9H2,1-2H3,(H,15,17)/b6-3+
InChIKey PBFPNGRDAYNHPS-ZZXKWVIFSA-N
Mol Weight 244.29 g/mol
Molecular Formula C14H16N2O2
Exact Mass 244.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1kPxu9RCGdg
Name 4-Methyl-5-[(E)-1-oxobut-2-enyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O2
InChI InChI=1S/C14H16N2O2/c1-3-6-14(18)16-10(2)9-13(17)15-11-7-4-5-8-12(11)16/h3-8,10H,9H2,1-2H3,(H,15,17)/b6-3+
InChIKey PBFPNGRDAYNHPS-ZZXKWVIFSA-N
Literature Reference DOI 10.1002_1521-4184(200101)334_1_11
Molecular Weight 244.294 g/mol
SMILES N1c2c(N(C(CC1=O)C)C(=O)\C=C\C)cccc2
SPLASH splash10-014i-9710000000-b73a82b19db485bef910
Source of Spectrum APP-334-14-1
Synonyms 5-Crotonoyl-4-methyl-1H-2,3,4,5-tetrahydro-1,5-benzodiazepin-2-one 5-[(E)-but-2-enoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (E)-5-(but-2-enoyl)-4-methyl-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
Wiley ID 1770473