1-[2-Nitrophenyl(phenylsulphonyl)methyl]benzotriazole

SpectraBase Compound ID	7WxJKVdYjED
InChI	InChI=1S/C19H14N4O4S/c24-23(25)17-12-6-4-10-15(17)19(28(26,27)14-8-2-1-3-9-14)22-18-13-7-5-11-16(18)20-21-22/h1-13,19H
InChIKey	NIYUETFWNIRGPB-UHFFFAOYSA-N Google Search
Mol Weight	394.41 g/mol
Molecular Formula	C19H14N4O4S
Exact Mass	394.073576 g/mol

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SpectraBase Spectrum ID	B3WrEyaVFGH
Name	1-[2-Nitrophenyl(phenylsulphonyl)methyl]benzotriazole
Alternate Name(s)	1-[(2-nitrophenyl)(phenylsulfonyl)methyl]-1H-1,2,3-benzotriazole 1H-1,2,3-benzotriazol-1-yl(2-nitrophenyl)methyl phenyl sulfone
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H14N4O4S
InChI	InChI=1S/C19H14N4O4S/c24-23(25)17-12-6-4-10-15(17)19(28(26,27)14-8-2-1-3-9-14)22-18-13-7-5-11-16(18)20-21-22/h1-13,19H
InChIKey	NIYUETFWNIRGPB-UHFFFAOYSA-N
Molecular Weight	394.405 g/mol
SMILES	C([n]1nnc2c1cccc2)(S(=O)(=O)c1ccccc1)c1c(N(=O)=O)cccc1
SPLASH	splash10-0udi-0090000000-76bd4ab4ce95e611a2aa
Source of Spectrum	F-56-7281-12
Wiley ID	858445