Methyl 4-Decyl-3-hydroxy-6-[(4-nitrophenyl)sulfanyl]-1,1'-biphenyl-2-carboxylate

SpectraBase Compound ID	88xhDYBJDD8
InChI	InChI=1S/C30H35NO5S/c1-3-4-5-6-7-8-9-11-16-23-21-26(37-25-19-17-24(18-20-25)31(34)35)27(22-14-12-10-13-15-22)28(29(23)32)30(33)36-2/h10,12-15,17-21,32H,3-9,11,16H2,1-2H3
InChIKey	RORRUQZWUYIYMR-UHFFFAOYSA-N Google Search
Mol Weight	521.7 g/mol
Molecular Formula	C30H35NO5S
Exact Mass	521.223594 g/mol

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SpectraBase Spectrum ID	GmxCAA45I0V
Name	Methyl 4-Decyl-3-hydroxy-6-[(4-nitrophenyl)sulfanyl]-1,1'-biphenyl-2-carboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H35NO5S
InChI	InChI=1S/C30H35NO5S/c1-3-4-5-6-7-8-9-11-16-23-21-26(37-25-19-17-24(18-20-25)31(34)35)27(22-14-12-10-13-15-22)28(29(23)32)30(33)36-2/h10,12-15,17-21,32H,3-9,11,16H2,1-2H3
InChIKey	RORRUQZWUYIYMR-UHFFFAOYSA-N
Literature Reference DOI	10.1002/hlca.200900393
Molecular Weight	521.672 g/mol
SMILES	Oc1c(C(=O)OC)c(-c2ccccc2)c(Sc2ccc(cc2)[N+](=O)[O-])cc1CCCCCCCCCC
SPLASH	splash10-05g0-0275790000-4ec38ded796e2cbb81b1
Source of Spectrum	H-93-1619-5o
Synonyms	Methyl 4-decyl-3-hydroxy-6-((4-nitrophenyl)thio)-[1,1'-biphenyl]-2-carboxylate
Wiley ID	1784065