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5-Methyl-1-trideuterioacetyl-3-(5-nitro-2-furyl)-1,2,4-triazole
SpectraBase Compound ID 57ww2ajkDXQ
InChI InChI=1S/C9H8N4O4/c1-5-10-9(11-12(5)6(2)14)7-3-4-8(17-7)13(15)16/h3-4H,1-2H3/i2D3
InChIKey MVJSGHMFEYLQLA-BMSJAHLVSA-N
Mol Weight 239.21 g/mol
Molecular Formula C9H52D3N4O4
Exact Mass 239.073385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jil3mzttYCf
Name 5-Methyl-1-trideuterioacetyl-3-(5-nitro-2-furyl)-1,2,4-triazole
Alternate Name(s) 5-Methyl-1-trideuterioacetyl-3-(5-mitro-2-furyl)-1,2,4-triazole
CAS Registry Number 55836-60-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5D3N4O4
InChI InChI=1S/C9H8N4O4/c1-5-10-9(11-12(5)6(2)14)7-3-4-8(17-7)13(15)16/h3-4H,1-2H3/i2D3
InChIKey MVJSGHMFEYLQLA-BMSJAHLVSA-N
Molecular Weight 239.205 g/mol
SMILES c1(n[n](c(n1)C)C(=O)C([2D])([2D])[2D])-c1oc(N(=O)=O)cc1
SPLASH splash10-0002-9400000000-83a26b9fa0b2edf1d075
Source of Spectrum AJ-45-1879-2
Wiley ID 1237553