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3-Methyl-5-[(E)-1-oxobut-2-enyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SpectraBase Compound ID GzHAwjKasjB
InChI InChI=1S/C14H16N2O2/c1-3-6-13(17)16-9-10(2)14(18)15-11-7-4-5-8-12(11)16/h3-8,10H,9H2,1-2H3,(H,15,18)/b6-3+
InChIKey JNPAFAUEFHWJTA-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 FBBRILp63uI
Name 3-Methyl-5-[(E)-1-oxobut-2-enyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
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Formula C14H16N2O2
InChI InChI=1S/C14H16N2O2/c1-3-6-13(17)16-9-10(2)14(18)15-11-7-4-5-8-12(11)16/h3-8,10H,9H2,1-2H3,(H,15,18)/b6-3+
InChIKey JNPAFAUEFHWJTA-ZZXKWVIFSA-N
Molecular Weight 244.294 g/mol
SMILES N1C(C(CN(c2c1cccc2)C(\C=C\C)=O)C)=O
SPLASH splash10-014l-9610000000-fb1e6e41dd55207cfbee
Source of Spectrum D9-334-15-4
Synonyms 5-Crotonoyl-3-methyl-1H-2,3,4,5-tetrahydro-1,5-benzodiazepin-2-one 5-[(E)-but-2-enoyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (E)-5-(but-2-enoyl)-3-methyl-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
Wiley ID 1550786