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METHYL-3-(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)-PROPANOATE
SpectraBase Compound ID IwftUaMdJdq
InChI InChI=1S/C6H8N4O4/c1-14-5(11)2-3-9-4-7-6(8-9)10(12)13/h4H,2-3H2,1H3
InChIKey FIJGITPHCVSQPP-UHFFFAOYSA-N
Mol Weight 200.15 g/mol
Molecular Formula C6H8N4O4
Exact Mass 200.054555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9SH2DamvESp
Name METHYL-3-(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)-PROPANOATE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H8N4O4
InChI InChI=1S/C6H8N4O4/c1-14-5(11)2-3-9-4-7-6(8-9)10(12)13/h4H,2-3H2,1H3
InChIKey FIJGITPHCVSQPP-UHFFFAOYSA-N
Literature Reference Author S.BONCEL,K.SALETRA,B.HEFCZYC,K.Z.WALCZAK
Literature Reference Citation BEIL.J.ORG.CHEM.,7,173(2011)
Literature Reference DOI 10.3762/bjoc.7.24
Molecular Weight 200.154 g/mol
Solvent DMSO-D6
Source File Reference UWBT9669