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1H-Tetrazolium, 3,5-dimethyl-1-(2-oxo-2-phenylethyl)-, hydroxide, inner salt
SpectraBase Compound ID 4dJzsqX01GB
InChI InChI=1S/C11H12N4O/c1-9-12-14(2)13-15(9)8-11(16)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey KBNWGGASIKEAPA-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C11H12N4O
Exact Mass 216.101111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1J0smuweKC
Name 1H-Tetrazolium, 3,5-dimethyl-1-(2-oxo-2-phenylethyl)-, hydroxide, inner salt
CAS Registry Number 107403-64-5
Comments Less than 3 mono-isotopic peaks
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Formula C11H12N4O
InChI InChI=1S/C11H12N4O/c1-9-12-14(2)13-15(9)8-11(16)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey KBNWGGASIKEAPA-UHFFFAOYSA-N
Molecular Weight 216.244 g/mol
SMILES c1(\C(=C\[n]2n[n+](nc2C)C)[O-])ccccc1
SPLASH splash10-066r-0690000000-5c331f75746328fa4fea
Source of Spectrum KC-1986-1161-0
Synonyms (Z)-2-(2,5-dimethyl-4H-tetraazol-2-ium-4-yl)-1-phenylethenolate 3,5-Dimethyl-tetrazolinum-1-phenacylide
Wiley ID 1215271