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7-methoxy-1-phenethylchromeno[3,4-d][1,2,3]triazol-4(1H)-one
SpectraBase Compound ID JhkDnMO6W5m
InChI InChI=1S/C18H15N3O3/c1-23-13-7-8-14-15(11-13)24-18(22)16-17(14)21(20-19-16)10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKey GRILAKUROIQPRT-UHFFFAOYSA-N
Mol Weight 321.34 g/mol
Molecular Formula C18H15N3O3
Exact Mass 321.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6IiivZY8t0x
Name 7-methoxy-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.
Formula C18H15N3O3
InChI InChI=1S/C18H15N3O3/c1-23-13-7-8-14-15(11-13)24-18(22)16-17(14)21(20-19-16)10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKey GRILAKUROIQPRT-UHFFFAOYSA-N
Instrument Name JEOL JMS-700MS
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202300013
Molecular Weight 321.336 g/mol
Quality 121
Reported Formula C18H15N3O3
SMILES COC=1C=CC2=C(C1)OC(C=1N=NN(C21)CCC1=CC=CC=C1)=O
SPLASH splash10-0089-1098000000-7e97217316cf8ae88b51
Source of Spectrum AJO-12-8-anti-12 (DOI: 10.1002/ajoc.202300013)
Wiley ID 1909724