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6-Methyl-3-nitro-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one
SpectraBase Compound ID F41Vgys0DRV
InChI InChI=1S/C10H10N2O4/c1-6-4-10(13)11-8-3-2-7(12(14)15)5-9(8)16-6/h2-3,5-6H,4H2,1H3,(H,11,13)
InChIKey KPGGEJMGEBPHQR-UHFFFAOYSA-N
Mol Weight 222.2 g/mol
Molecular Formula C10H10N2O4
Exact Mass 222.064057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdpGWarrNsg
Name 6-Methyl-3-nitro-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one
Alternate Name(s) 2-Methyl-8-nitro-2,3-dihydro-1,5-benzoxazepin-4(5H)-one 2-Methyl-8-nitro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CAS Registry Number 134076-63-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10N2O4
InChI InChI=1S/C10H10N2O4/c1-6-4-10(13)11-8-3-2-7(12(14)15)5-9(8)16-6/h2-3,5-6H,4H2,1H3,(H,11,13)
InChIKey KPGGEJMGEBPHQR-UHFFFAOYSA-N
Molecular Weight 222.200 g/mol
SMILES N1c2ccc(cc2OC(CC1=O)C)N(=O)=O
SPLASH splash10-014i-9100000000-47b6827a8c7b95ec83cd
Wiley ID 1475663