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[(3-amino-1-methyl-4-nitropyrrol-2-yl)thiocarbonyl]carbamic acid, ethyl ester

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[(3-amino-1-methyl-4-nitropyrrol-2-yl)thiocarbonyl]carbamic acid, ethyl ester
SpectraBase Compound ID DnTmal1pfOE
InChI InChI=1S/C9H12N4O4S/c1-3-17-9(14)11-8(18)7-6(10)5(13(15)16)4-12(7)2/h4H,3,10H2,1-2H3,(H,11,14,18)
InChIKey ZXKKGSYVVCFJNK-UHFFFAOYSA-N
Mol Weight 272.28 g/mol
Molecular Formula C9H12N4O4S
Exact Mass 272.057926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jm78DDkuIEP
Name 1-Methyl-3-amino-4-nitro-pyrrole-2-(N-ethoxycarbonyl-thiocarboxamide)
CAS Registry Number 72082-37-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H12N4O4S
InChI InChI=1S/C9H12N4O4S/c1-3-17-9(14)11-8(18)7-6(10)5(13(15)16)4-12(7)2/h4H,3,10H2,1-2H3,(H,11,14,18)
InChIKey ZXKKGSYVVCFJNK-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference L. Grehn, Chemica Scripta 13, 78 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6