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Methyl 3-Hydroxy-4-methyl-4'-nitro-6-tosylbiphenyl-2-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl 3-Hydroxy-4-methyl-4'-nitro-6-tosylbiphenyl-2-carboxylate
SpectraBase Compound ID ILuJTkGCn0f
InChI InChI=1S/C22H19NO7S/c1-13-4-10-17(11-5-13)31(28,29)18-12-14(2)21(24)20(22(25)30-3)19(18)15-6-8-16(9-7-15)23(26)27/h4-12,24H,1-3H3
InChIKey WCJYGZHHRZWNDJ-UHFFFAOYSA-N
Mol Weight 441.45 g/mol
Molecular Formula C22H19NO7S
Exact Mass 441.088223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2D9NKZe09k3
Name Methyl 3-Hydroxy-4-methyl-4'-nitro-6-tosylbiphenyl-2-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19NO7S
InChI InChI=1S/C22H19NO7S/c1-13-4-10-17(11-5-13)31(28,29)18-12-14(2)21(24)20(22(25)30-3)19(18)15-6-8-16(9-7-15)23(26)27/h4-12,24H,1-3H3
InChIKey WCJYGZHHRZWNDJ-UHFFFAOYSA-N
Molecular Weight 441.454 g/mol
SMILES Oc1c(cc(S(c2ccc(cc2)C)(=O)=O)c(c1C(=O)OC)-c1ccc(N(=O)=O)cc1)C
SPLASH splash10-0bt9-0010900000-b38faa800431e2ef6aba
Source of Spectrum F4-41-2233-4af
Wiley ID 1672571