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8-chloro-3,5-dimethyl-1,2,3,5-benzotetrazepin-4-one

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8-chloro-3,5-dimethyl-1,2,3,5-benzotetrazepin-4-one
SpectraBase Compound ID 9Fly5D7W19r
InChI InChI=1S/C9H9ClN4O/c1-13-8-4-3-6(10)5-7(8)11-12-14(2)9(13)15/h3-5H,1-2H3
InChIKey HNNKJKNTQHGPKT-UHFFFAOYSA-N
Mol Weight 224.65 g/mol
Molecular Formula C9H9ClN4O
Exact Mass 224.046489 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 46FdcFQmtp8
Name 8-chloro-3,5-dimethyl-1,2,3,5-benzotetrazepin-4-one
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9ClN4O
InChI InChI=1S/C9H9ClN4O/c1-13-8-4-3-6(10)5-7(8)11-12-14(2)9(13)15/h3-5H,1-2H3
InChIKey HNNKJKNTQHGPKT-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 UWMZ5430