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6-(3,5-Dinitrobenzoyl)oxy-1-methylcycloheptene
SpectraBase Compound ID EXNUPCom987
InChI InChI=1S/C15H16N2O6/c1-10-4-2-3-5-14(6-10)23-15(18)11-7-12(16(19)20)9-13(8-11)17(21)22/h4,7-9,14H,2-3,5-6H2,1H3
InChIKey PJOQBJMFQYSWAS-UHFFFAOYSA-N
Mol Weight 320.3 g/mol
Molecular Formula C15H16N2O6
Exact Mass 320.100836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYfClDxAIk7
Name 6-(3,5-Dinitrobenzoyl)oxy-1-methylcycloheptene
Alternate Name(s) 3-Methyl-3-cyclohepten-1-yl 3,5-dinitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2O6
InChI InChI=1S/C15H16N2O6/c1-10-4-2-3-5-14(6-10)23-15(18)11-7-12(16(19)20)9-13(8-11)17(21)22/h4,7-9,14H,2-3,5-6H2,1H3
InChIKey PJOQBJMFQYSWAS-UHFFFAOYSA-N
Molecular Weight 320.301 g/mol
SMILES C1(=CCCCC(C1)OC(c1cc(cc(c1)N(=O)=O)N(=O)=O)=O)C
SPLASH splash10-0a4l-5900000000-66f8dde7eaf8805059ad
Source of Spectrum SO-0-430-6
Wiley ID 1540599