(E)-4,5,6,7-Tetrahydro-6,6-dimethyl-2-phenyl-2H-benzo[d]-(1,2,3)-triazol-4-one - oxime p-toluenesulfonate - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	E7JyCXeEDh0
InChI	InChI=1S/C21H22N4O3S/c1-15-9-11-17(12-10-15)29(26,27)28-24-19-14-21(2,3)13-18-20(19)23-25(22-18)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3/b24-19+
InChIKey	UMCWSTSQZFXEFV-LYBHJNIJSA-N Google Search
Mol Weight	410.49 g/mol
Molecular Formula	C21H22N4O3S
Exact Mass	410.141262 g/mol

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SpectraBase Spectrum ID	9BIjjXv3rng
Name	(E)-4,5,6,7-Tetrahydro-6,6-dimethyl-2-phenyl-2H-benzo[d]-(1,2,3)-triazol-4-one - oxime p-toluenesulfonate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H22N4O3S
InChI	InChI=1S/C21H22N4O3S/c1-15-9-11-17(12-10-15)29(26,27)28-24-19-14-21(2,3)13-18-20(19)23-25(22-18)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3/b24-19+
InChIKey	UMCWSTSQZFXEFV-LYBHJNIJSA-N
Molecular Weight	410.492 g/mol
SMILES	c12n[n](-c3ccccc3)nc1CC(C\C2=N\OS(c1ccc(cc1)C)(=O)=O)(C)C
SPLASH	splash10-002f-0090000000-3bcda9270d17f2c0c619
Source of Spectrum	G-55-254-0
Synonyms	[(4E)-6,6-dimethyl-2-phenyl-4,5,6,7-tetrahydro-2H-1,2,3-benzotriazol-4-ylidene]amino 4-methylbenzene-1-sulfonate
Wiley ID	748225