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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 8ntlpJlB1Gy
Name [(3-AMINO-1-METHYL-4-NITROPYRROL-2-YL)THIOCARBONYL]CARBAMIC ACID, ETHYL ESTER
Source of Sample L. Grehn Chem. Scripta 13, 78(1978)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Molecular Weight 272.28
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Jeol FX-100
Synonyms CARBAMIC ACID, //3-AMINO-1-METHYL-4-NITROPYRROL-2-YL/THIOCARBONYL/-, ETHYL ESTER