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5-Trideuteriomethyl-1-acetyl-3-(5-nitro-2-furyl)-1,2,4-triazole
SpectraBase Compound ID EhM7X0QaMyF
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/i1D3
InChIKey MVJSGHMFEYLQLA-FIBGUPNXSA-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 65Ft0vVsgqX
Name 5-Trideuteriomethyl-1-acetyl-3-(5-nitro-2-furyl)-1,2,4-triazole
CAS Registry Number 55836-61-8
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/i1D3
InChIKey MVJSGHMFEYLQLA-FIBGUPNXSA-N
Molecular Weight 239.205 g/mol
SMILES c1(n[n](c(n1)C([2D])([2D])[2D])C(=O)C)-c1oc(N(=O)=O)cc1
SPLASH splash10-0005-9800000000-5323e62d9d1870115a8f
Source of Spectrum AJ-45-1879-4
Wiley ID 1237554