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2-(methylthio)-4-(1-naphthalenyl)-6-(2-naphthalenyl)benzoic acid methyl ester
SpectraBase Compound ID BCrFmSzbGfk
InChI InChI=1S/C29H22O2S/c1-31-29(30)28-26(22-15-14-19-8-3-4-10-21(19)16-22)17-23(18-27(28)32-2)25-13-7-11-20-9-5-6-12-24(20)25/h3-18H,1-2H3
InChIKey MWHWSSQOWKULAN-UHFFFAOYSA-N
Mol Weight 434.55 g/mol
Molecular Formula C29H22O2S
Exact Mass 434.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VnTCOVDgFD
Name 2-(methylthio)-4-(1-naphthalenyl)-6-(2-naphthalenyl)benzoic acid methyl ester
Alternate Name(s) 2-(methylthio)-4-(1-naphthyl)-6-(2-naphthyl)benzoic acid methyl ester Methyl 2-methylsulfanyl-4-naphthalen-1-yl-6-naphthalen-2-yl-benzoate Methyl 2-methylsulfanyl-4-naphthalen-1-yl-6-naphthalen-2-ylbenzoate
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Formula C29H22O2S
InChI InChI=1S/C29H22O2S/c1-31-29(30)28-26(22-15-14-19-8-3-4-10-21(19)16-22)17-23(18-27(28)32-2)25-13-7-11-20-9-5-6-12-24(20)25/h3-18H,1-2H3
InChIKey MWHWSSQOWKULAN-UHFFFAOYSA-N
Molecular Weight 434.553 g/mol
SMILES C(c1c(cc(cc1SC)-c1cccc2ccccc12)-c1cc2c(cc1)cccc2)(=O)OC
SPLASH splash10-0ue9-0001900000-490a3d2ea6a81b8d9e8a
Source of Spectrum J-64-2390-5
Wiley ID 1529772