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1,2,4-Oxadiazol-5-amine, N-(1,3-benzodioxol-5-ylmethyl)-3-[4-[(4-methoxyphenyl)amino]-1,2,5-oxadiazol-3-yl]-
SpectraBase Compound ID CA85AM7juao
InChI InChI=1S/C19H16N6O5/c1-26-13-5-3-12(4-6-13)21-17-16(23-30-25-17)18-22-19(29-24-18)20-9-11-2-7-14-15(8-11)28-10-27-14/h2-8H,9-10H2,1H3,(H,21,25)(H,20,22,24)
InChIKey POXABGBGFJDSOV-UHFFFAOYSA-N
Mol Weight 408.37 g/mol
Molecular Formula C19H16N6O5
Exact Mass 408.118218 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88732niAAC
Name 1,2,4-Oxadiazol-5-amine, N-(1,3-benzodioxol-5-ylmethyl)-3-[4-[(4-methoxyphenyl)amino]-1,2,5-oxadiazol-3-yl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N6O5
InChI InChI=1S/C19H16N6O5/c1-26-13-5-3-12(4-6-13)21-17-16(23-30-25-17)18-22-19(29-24-18)20-9-11-2-7-14-15(8-11)28-10-27-14/h2-8H,9-10H2,1H3,(H,21,25)(H,20,22,24)
InChIKey POXABGBGFJDSOV-UHFFFAOYSA-N
Molecular Weight 408.374 g/mol
SMILES N(c1onc(-c2c(non2)Nc2ccc(cc2)OC)n1)Cc1ccc2c(c1)OCO2
SPLASH splash10-000i-1910100000-d0e213488e7208daab92
Source of Spectrum IY-2-5085-8
Synonyms 4-{5-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-1,2,4-oxadiazol-3-yl}-N-(4-methoxyphenyl)-1,2,5-oxadiazol-3-amine 4-[5-(1,3-benzodioxol-5-ylmethylamino)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)-1,2,5-oxadiazol-3-amine
Wiley ID 1658841