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1-Methyl-4-phenyl-1H-tetrazol-5(4H)-one
SpectraBase Compound ID 1DHCvLNIuDd
InChI InChI=1S/C8H8N4O/c1-11-8(13)12(10-9-11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey DDXYULNUXKRXSW-UHFFFAOYSA-N
Mol Weight 176.18 g/mol
Molecular Formula C8H8N4O
Exact Mass 176.069811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kf0fzmYeCoE
Name 1-Methyl-4-phenyl-1H-tetrazol-5(4H)-one
Alternate Name(s) 1-Methyl-4-phenyl-1,2,3,4-tetrazol-5-one 1-Methyl-4-phenyl-1,4-dihydro-tetrazol-5-one 1-Methyl-4-phenyl-5-tetrazolone 1-Methyl-4-phenyltetrazol-5-one 1-Methyl-4-phenyl-tetrazol-5-one
CAS Registry Number 54246-62-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8N4O
InChI InChI=1S/C8H8N4O/c1-11-8(13)12(10-9-11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey DDXYULNUXKRXSW-UHFFFAOYSA-N
Molecular Weight 176.179 g/mol
SMILES c1ccc(N2C(N(C)N=N2)=O)cc1
SPLASH splash10-014l-9400000000-ef158b5b031fb7e6fab2
Wiley ID 1466493