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N-((1-Benzyl-1H-1,2,3-triazol-4-yl)methyl)-5-phenylisoxazole-3-carboxamide
SpectraBase Compound ID CvzsPQLNVIw
InChI InChI=1S/C20H17N5O2/c26-20(18-11-19(27-23-18)16-9-5-2-6-10-16)21-12-17-14-25(24-22-17)13-15-7-3-1-4-8-15/h1-11,14H,12-13H2,(H,21,26)
InChIKey GRGLWAYKHOQADD-UHFFFAOYSA-N
Mol Weight 359.39 g/mol
Molecular Formula C20H17N5O2
Exact Mass 359.138225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LV1WDb2vtvs
Name N-((1-Benzyl-1H-1,2,3-triazol-4-yl)methyl)-5-phenylisoxazole-3-carboxamide
Appearance White crystals
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Exact Mass 359.138224805 u
Formula C20H17N5O2
InChI InChI=1S/C20H17N5O2/c26-20(18-11-19(27-23-18)16-9-5-2-6-10-16)21-12-17-14-25(24-22-17)13-15-7-3-1-4-8-15/h1-11,14H,12-13H2,(H,21,26)
InChIKey GRGLWAYKHOQADD-UHFFFAOYSA-N
Instrument Name Agilent Technology
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2273
Molecular Weight 359.389 g/mol
Quality 160
SMILES N(CC=1N=NN(CC2=CC=CC=C2)C1)C(=O)C1=NOC(=C1)C1=CC=CC=C1
SPLASH splash10-052f-5913000000-a0237024472731370d57
Source of Spectrum Y-52-1745-7a (DOI: 10.1002/jhet.2273)
Wiley ID 1902622