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3,5-dimethyl-7-nitro-1,2,3,5-benzotetrazepin-4-one

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3,5-dimethyl-7-nitro-1,2,3,5-benzotetrazepin-4-one
SpectraBase Compound ID EIRN2Iuz2DZ
InChI InChI=1S/C9H9N5O3/c1-12-8-5-6(14(16)17)3-4-7(8)10-11-13(2)9(12)15/h3-5H,1-2H3
InChIKey ZEQGHPJMIWTIGT-UHFFFAOYSA-N
Mol Weight 235.2 g/mol
Molecular Formula C9H9N5O3
Exact Mass 235.070539 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3y5Ct59a9iY
Name 3,5-dimethyl-7-nitro-1,2,3,5-benzotetrazepin-4-one
Compound Number 5F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9N5O3
InChI InChI=1S/C9H9N5O3/c1-12-8-5-6(14(16)17)3-4-7(8)10-11-13(2)9(12)15/h3-5H,1-2H3
InChIKey ZEQGHPJMIWTIGT-UHFFFAOYSA-N
Literature Reference Author B.J.JEAN-CLAUDE,C.I.WILLIAMS
Literature Reference Citation MAGN.RES.CHEM.,36,87(1998)
Literature Reference DOI 10.1002/(sici)1097-458x(199802)36:2<87::aid-omr221>3.3.co;2-5
Solvent CDCl3
Source File Reference UWMZ5431