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3H-1,2,3-Triazolo[4,5-b][1,5]benzoxazepin-10(9H)-one, 3-[(4-methoxyphenyl)methyl]-
SpectraBase Compound ID IrYwnyZQMvE
InChI InChI=1S/C17H14N4O3/c1-23-12-8-6-11(7-9-12)10-21-15-16(22)18-13-4-2-3-5-14(13)24-17(15)19-20-21/h2-9H,10H2,1H3,(H,18,22)
InChIKey ZTNGVFNSIBDIHV-UHFFFAOYSA-N
Mol Weight 322.32 g/mol
Molecular Formula C17H14N4O3
Exact Mass 322.10659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cW97hQ4vay
Name 3H-1,2,3-Triazolo[4,5-b][1,5]benzoxazepin-10(9H)-one, 3-[(4-methoxyphenyl)methyl]-
Alternate Name(s) 1-(4-Methoxybenzyl)-1,2,3-triazo[4.5-b][1.5]benzoxazepin-10(9H)-one 1-(4-methoxybenzyl)-1H-[1,2,3]triazolo[4,5-b][1,5]benzoxazepin-10(9H)-one
CAS Registry Number 106157-45-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N4O3
InChI InChI=1S/C17H14N4O3/c1-23-12-8-6-11(7-9-12)10-21-15-16(22)18-13-4-2-3-5-14(13)24-17(15)19-20-21/h2-9H,10H2,1H3,(H,18,22)
InChIKey ZTNGVFNSIBDIHV-UHFFFAOYSA-N
Molecular Weight 322.324 g/mol
SMILES N1c2c(Oc3c(C1=O)[n](nn3)Cc1ccc(cc1)OC)cccc2
SPLASH splash10-00di-0900000000-11f63524300576b8d7a3
Source of Spectrum Y-22-1697-0
Wiley ID 1321558