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Methyl 3-hydroxy-4-butyl-4'-nitro-6-tosylbiphenyl-2-carboxylate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Methyl 3-hydroxy-4-butyl-4'-nitro-6-tosylbiphenyl-2-carboxylate
SpectraBase Compound ID 1FQDlPHx3zG
InChI InChI=1S/C25H25NO7S/c1-4-5-6-18-15-21(34(31,32)20-13-7-16(2)8-14-20)22(23(24(18)27)25(28)33-3)17-9-11-19(12-10-17)26(29)30/h7-15,27H,4-6H2,1-3H3
InChIKey UBTCQQKGTSEGLO-UHFFFAOYSA-N
Mol Weight 483.54 g/mol
Molecular Formula C25H25NO7S
Exact Mass 483.135173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cop7neBk478
Name Methyl 3-Hydroxy-4-butyl-4'-nitro-6-tosylbiphenyl-2-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25NO7S
InChI InChI=1S/C25H25NO7S/c1-4-5-6-18-15-21(34(31,32)20-13-7-16(2)8-14-20)22(23(24(18)27)25(28)33-3)17-9-11-19(12-10-17)26(29)30/h7-15,27H,4-6H2,1-3H3
InChIKey UBTCQQKGTSEGLO-UHFFFAOYSA-N
Molecular Weight 483.535 g/mol
SMILES Oc1c(cc(S(c2ccc(cc2)C)(=O)=O)c(c1C(=O)OC)-c1ccc(N(=O)=O)cc1)CCCC
SPLASH splash10-0002-1208900000-f99d55fa0345f67305cf
Source of Spectrum F4-41-2234-4ag
Wiley ID 1672570