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2,7-DIHYDRAZONO-9-NITRO-4,4-DIOXO-4,5,6,7-TETRAHYDRO-1,4-BENZOXATHIONIN-5-(3H)-CARBOHYDRAZIDE
SpectraBase Compound ID GiCbqpLjVdc
InChI InChI=1S/C12H15N7O6S/c13-16-8-4-10(12(20)18-15)26(23,24)5-11(17-14)25-9-2-1-6(19(21)22)3-7(8)9/h1-3,10H,4-5,13-15H2,(H,18,20)/b16-8+,17-11+
InChIKey YUMMGRDAFKITJG-CATZTCIUSA-N
Mol Weight 385.36 g/mol
Molecular Formula C12H15N7O6S
Exact Mass 385.080452 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IUiiFFoZuJf
Name 2,7-DIHYDRAZONO-9-NITRO-4,4-DIOXO-4,5,6,7-TETRAHYDRO-1,4-BENZOXATHIONIN-5-(3H)-CARBOHYDRAZIDE
Compound Number 6G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15N7O6S
InChI InChI=1S/C12H15N7O6S/c13-16-8-4-10(12(20)18-15)26(23,24)5-11(17-14)25-9-2-1-6(19(21)22)3-7(8)9/h1-3,10H,4-5,13-15H2,(H,18,20)/b16-8+,17-11+
InChIKey YUMMGRDAFKITJG-CATZTCIUSA-N
Literature Reference Author V.Y.SOSNOVSKIKH,B.I.USACHEV,I.I.VORONTSOV
Literature Reference Citation J.ORG.CHEM.,67,6738(2002)
Literature Reference DOI 10.1021/jo0258406
Molecular Weight 385.354 g/mol
Solvent DMSO-D6
Source File Reference UWSI22057