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6-Benzyltetrazolo[1,5-b]1,2,4-triazin-7(8H)-one
SpectraBase Compound ID 532bVBq5ctl
InChI InChI=1S/C10H8N6O/c17-9-8(6-7-4-2-1-3-5-7)13-16-10(11-9)12-14-15-16/h1-5H,6H2,(H,11,12,15,17)
InChIKey WCIYOMKQUKCLDW-UHFFFAOYSA-N
Mol Weight 228.21 g/mol
Molecular Formula C10H8N6O
Exact Mass 228.075959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLg8TaTQ59M
Name 6-Benzyltetrazolo[1,5-b]1,2,4-triazin-7(8H)-one
Appearance White needle
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8N6O
InChI InChI=1S/C10H8N6O/c17-9-8(6-7-4-2-1-3-5-7)13-16-10(11-9)12-14-15-16/h1-5H,6H2,(H,11,12,15,17)
InChIKey WCIYOMKQUKCLDW-UHFFFAOYSA-N
Instrument Name Kratos & Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3127
Molecular Weight 228.215 g/mol
SMILES N1c2[n](N=C(C1=O)Cc1ccccc1)nnn2
SPLASH splash10-0uk9-6900000000-511b15e46ea2852d816c
Source of Spectrum Y-55-SM17-6
Thin-Layer Chromatography Rf = 0.47 (pet. ether/ethyl acetate ,4:3.5)
Wiley ID 1879117