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1-(1,3-Benzodioxol-5-ylmethyl)-3-nitro-1H-1,2,4-triazole
SpectraBase Compound ID L61eAdEXP2S
InChI InChI=1S/C10H8N4O4/c15-14(16)10-11-5-13(12-10)4-7-1-2-8-9(3-7)18-6-17-8/h1-3,5H,4,6H2
InChIKey ACSFDWNTGAJADG-UHFFFAOYSA-N
Mol Weight 248.2 g/mol
Molecular Formula C10H8N4O4
Exact Mass 248.054555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jIUZKUMB2Y
Name 1-(1,3-Benzodioxol-5-ylmethyl)-3-nitro-1H-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8N4O4
InChI InChI=1S/C10H8N4O4/c15-14(16)10-11-5-13(12-10)4-7-1-2-8-9(3-7)18-6-17-8/h1-3,5H,4,6H2
InChIKey ACSFDWNTGAJADG-UHFFFAOYSA-N
Molecular Weight 248.198 g/mol
SMILES c1(nc[n](n1)Cc1cc2OCOc2cc1)N(=O)=O
SPLASH splash10-000i-9720000000-bada62697efd798563c7
Synonyms 1-(1,3-benzodioxol-5-ylmethyl)-3-nitro-1,2,4-triazole 3-Nitro-1-piperonyl-1,2,4-triazole
Wiley ID 1510814