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Methyl 4-Ethyl-3-hydroxy-6-(phenylsulfanyl)-1,1'-biphenyl-2-carboxylate
SpectraBase Compound ID 9FhWSxtpvDm
InChI InChI=1S/C22H20O3S/c1-3-15-14-18(26-17-12-8-5-9-13-17)19(16-10-6-4-7-11-16)20(21(15)23)22(24)25-2/h4-14,23H,3H2,1-2H3
InChIKey MQVSPELPVWAHNR-UHFFFAOYSA-N
Mol Weight 364.46 g/mol
Molecular Formula C22H20O3S
Exact Mass 364.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cj3Ty7yVmDk
Name Methyl 4-Ethyl-3-hydroxy-6-(phenylsulfanyl)-1,1'-biphenyl-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O3S
InChI InChI=1S/C22H20O3S/c1-3-15-14-18(26-17-12-8-5-9-13-17)19(16-10-6-4-7-11-16)20(21(15)23)22(24)25-2/h4-14,23H,3H2,1-2H3
InChIKey MQVSPELPVWAHNR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200900393
Molecular Weight 364.459 g/mol
SMILES Oc1c(C(=O)OC)c(c(cc1CC)Sc1ccccc1)-c1ccccc1
SPLASH splash10-001i-2129000000-f0ffbd7ea8248db953cf
Source of Spectrum H-93-1617-5b
Synonyms Methyl 4-ethyl-3-hydroxy-6-(phenylthio)-[1,1'-biphenyl]-2-carboxylate
Wiley ID 1784052