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1-phenethylchromeno[3,4-d][1,2,3]triazol-4(1H)-one
SpectraBase Compound ID EH1sGDwPbQI
InChI InChI=1S/C17H13N3O2/c21-17-15-16(13-8-4-5-9-14(13)22-17)20(19-18-15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey KGMKXENJQAKIRD-UHFFFAOYSA-N
Mol Weight 291.31 g/mol
Molecular Formula C17H13N3O2
Exact Mass 291.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJP85wmr0yL
Name 1-phenethylchromeno[3,4-d][1,2,3]triazol-4(1H)-one
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.100776669 u
Formula C17H13N3O2
InChI InChI=1S/C17H13N3O2/c21-17-15-16(13-8-4-5-9-14(13)22-17)20(19-18-15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey KGMKXENJQAKIRD-UHFFFAOYSA-N
Instrument Name JEOL JMS-700MS
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202300013
Quality 117
Reported Formula C17H13N3O2
SMILES C1(=CC=CC=C1)CCN1N=NC2=C1C1=C(C=CC=C1)OC2=O
SPLASH splash10-0udi-2190000000-3bcaac2c1af21e47e283
Source of Spectrum AJO-12-10-anti-15 (DOI: 10.1002/ajoc.202300013)
Wiley ID 1909725