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Methyl 3-Hydroxy-4-methyl-6-[(4-nitrophenyl)sulfanyl]-1,1'-biphenyl-2-carboxylate
SpectraBase Compound ID 6RCQldngmNI
InChI InChI=1S/C21H17NO5S/c1-13-12-17(28-16-10-8-15(9-11-16)22(25)26)18(14-6-4-3-5-7-14)19(20(13)23)21(24)27-2/h3-12,23H,1-2H3
InChIKey CCXSRQXHXKVJCQ-UHFFFAOYSA-N
Mol Weight 395.43 g/mol
Molecular Formula C21H17NO5S
Exact Mass 395.082744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHtb2eVSlyM
Name Methyl 3-Hydroxy-4-methyl-6-[(4-nitrophenyl)sulfanyl]-1,1'-biphenyl-2-carboxylate
Alternate Name(s) Methyl 3-hydroxy-4-methyl-6-((4-nitrophenyl)thio)-[1,1'-biphenyl]-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17NO5S
InChI InChI=1S/C21H17NO5S/c1-13-12-17(28-16-10-8-15(9-11-16)22(25)26)18(14-6-4-3-5-7-14)19(20(13)23)21(24)27-2/h3-12,23H,1-2H3
InChIKey CCXSRQXHXKVJCQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200900393
Molecular Weight 395.429 g/mol
SMILES Oc1c(C(=O)OC)c(c(cc1C)Sc1ccc(cc1)[N+](=O)[O-])-c1ccccc1
SPLASH splash10-03di-0129000000-b3ed2c6039095895615b
Source of Spectrum H-93-1618-5j
Wiley ID 1784060