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1,2,4-Oxadiazole, 3-(1,3-benzodioxol-5-yl)-5-[(4-nitro-1H-pyrazol-1-yl)methyl]-
SpectraBase Compound ID 2q57yNiP9W3
InChI InChI=1S/C13H9N5O5/c19-18(20)9-4-14-17(5-9)6-12-15-13(16-23-12)8-1-2-10-11(3-8)22-7-21-10/h1-5H,6-7H2
InChIKey VBVZXIXQAQTHOW-UHFFFAOYSA-N
Mol Weight 315.25 g/mol
Molecular Formula C13H9N5O5
Exact Mass 315.060368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80BNDqb5ac2
Name 1,2,4-Oxadiazole, 3-(1,3-benzodioxol-5-yl)-5-[(4-nitro-1H-pyrazol-1-yl)methyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9N5O5
InChI InChI=1S/C13H9N5O5/c19-18(20)9-4-14-17(5-9)6-12-15-13(16-23-12)8-1-2-10-11(3-8)22-7-21-10/h1-5H,6-7H2
InChIKey VBVZXIXQAQTHOW-UHFFFAOYSA-N
Molecular Weight 315.245 g/mol
SMILES c1c2c(ccc1-c1noc(n1)C[n]1ncc(c1)N(=O)=O)OCO2
SPLASH splash10-02t9-9804000000-3c072e5ee5cae1af3b65
Source of Spectrum IY-2-5157-5
Synonyms 3-(2H-1,3-benzodioxol-5-yl)-5-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole 3-(1,3-benzodioxol-5-yl)-5-[(4-nitro-1-pyrazolyl)methyl]-1,2,4-oxadiazole
Wiley ID 1659558