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2-(methylthio)-4,6-bis(1-naphthalenyl)benzoic acid methyl ester
SpectraBase Compound ID GALCazj2MsZ
InChI InChI=1S/C29H22O2S/c1-31-29(30)28-26(25-16-8-12-20-10-4-6-14-23(20)25)17-21(18-27(28)32-2)24-15-7-11-19-9-3-5-13-22(19)24/h3-18H,1-2H3
InChIKey YWYNKEXZGGVYSV-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 4UDjYSW8Zc
Name 2-(methylthio)-4,6-bis(1-naphthalenyl)benzoic acid methyl ester
Alternate Name(s) 2-(methylthio)-4,6-bis(1-naphthyl)benzoic acid methyl ester Methyl 2-methylsulfanyl-4,6-bis(1-naphthyl)benzoate Methyl 2-methylsulfanyl-4,6-dinaphthalen-1-yl-benzoate
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Formula C29H22O2S
InChI InChI=1S/C29H22O2S/c1-31-29(30)28-26(25-16-8-12-20-10-4-6-14-23(20)25)17-21(18-27(28)32-2)24-15-7-11-19-9-3-5-13-22(19)24/h3-18H,1-2H3
InChIKey YWYNKEXZGGVYSV-UHFFFAOYSA-N
Molecular Weight 434.553 g/mol
SMILES C(c1c(cc(cc1SC)-c1cccc2ccccc12)-c1cccc2ccccc12)(=O)OC
SPLASH splash10-0ff0-0002900000-f8720898a26dd738746b
Source of Spectrum J-64-2389-5
Wiley ID 1529773