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1,2,4-Oxadiazole, 3-(1,3-benzodioxol-5-yl)-5-[3-nitro-1-(phenylmethyl)-1H-pyrazol-5-yl]-
SpectraBase Compound ID Lb3JE4Ji1SU
InChI InChI=1S/C19H13N5O5/c25-24(26)17-9-14(23(21-17)10-12-4-2-1-3-5-12)19-20-18(22-29-19)13-6-7-15-16(8-13)28-11-27-15/h1-9H,10-11H2
InChIKey OYIAITLQBGQPSG-UHFFFAOYSA-N
Mol Weight 391.34 g/mol
Molecular Formula C19H13N5O5
Exact Mass 391.091669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TJI83UR4sU
Name 1,2,4-Oxadiazole, 3-(1,3-benzodioxol-5-yl)-5-[3-nitro-1-(phenylmethyl)-1H-pyrazol-5-yl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13N5O5
InChI InChI=1S/C19H13N5O5/c25-24(26)17-9-14(23(21-17)10-12-4-2-1-3-5-12)19-20-18(22-29-19)13-6-7-15-16(8-13)28-11-27-15/h1-9H,10-11H2
InChIKey OYIAITLQBGQPSG-UHFFFAOYSA-N
Molecular Weight 391.343 g/mol
SMILES c1c2c(ccc1-c1noc(n1)-c1[n](nc(c1)N(=O)=O)Cc1ccccc1)OCO2
SPLASH splash10-0007-5931000000-6f258e735fb8adc75cef
Source of Spectrum IY-2-5012-3
Synonyms 3-(2H-1,3-benzodioxol-5-yl)-5-(1-benzyl-3-nitro-1H-pyrazol-5-yl)-1,2,4-oxadiazole 3-(1,3-benzodioxol-5-yl)-5-[5-nitro-2-(phenylmethyl)-3-pyrazolyl]-1,2,4-oxadiazole 3-(1,3-benzodioxol-5-yl)-5-(2-benzyl-5-nitropyrazol-3-yl)-1,2,4-oxadiazole 3-(1,3-benzodioxol-5-yl)-5-[5-nitro-2-(phenylmethyl)pyrazol-3-yl]-1,2,4-oxadiazole
Wiley ID 1658106