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Methyl 3-Hydroxy-4'-nitro-6-tosylbiphenyl-2-carboxylate
SpectraBase Compound ID 32ooZoXhzMY
InChI InChI=1S/C21H17NO7S/c1-13-3-9-16(10-4-13)30(27,28)18-12-11-17(23)20(21(24)29-2)19(18)14-5-7-15(8-6-14)22(25)26/h3-12,23H,1-2H3
InChIKey PGPFODPAIJJSGK-UHFFFAOYSA-N
Mol Weight 427.43 g/mol
Molecular Formula C21H17NO7S
Exact Mass 427.072573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKEltTpdWAT
Name Methyl 3-Hydroxy-4'-nitro-6-tosylbiphenyl-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17NO7S
InChI InChI=1S/C21H17NO7S/c1-13-3-9-16(10-4-13)30(27,28)18-12-11-17(23)20(21(24)29-2)19(18)14-5-7-15(8-6-14)22(25)26/h3-12,23H,1-2H3
InChIKey PGPFODPAIJJSGK-UHFFFAOYSA-N
Molecular Weight 427.427 g/mol
SMILES Oc1ccc(S(c2ccc(cc2)C)(=O)=O)c(c1C(=O)OC)-c1ccc(N(=O)=O)cc1
SPLASH splash10-0002-0009300000-ead65335bb377319cdca
Source of Spectrum F4-41-2233-4ae
Wiley ID 1672572