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2-Dibenzothiophenecarboxylic acid, 1-methyl-3-phenyl-, methyl ester
SpectraBase Compound ID 5xoqqxuZcuD
InChI InChI=1S/C21H16O2S/c1-13-19-15-10-6-7-11-17(15)24-18(19)12-16(20(13)21(22)23-2)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKey ZDSNHDWNABLWDX-UHFFFAOYSA-N
Mol Weight 332.42 g/mol
Molecular Formula C21H16O2S
Exact Mass 332.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9p28Lg8csqu
Name 2-Dibenzothiophenecarboxylic acid, 1-methyl-3-phenyl-, methyl ester
CAS Registry Number 128406-08-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O2S
InChI InChI=1S/C21H16O2S/c1-13-19-15-10-6-7-11-17(15)24-18(19)12-16(20(13)21(22)23-2)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKey ZDSNHDWNABLWDX-UHFFFAOYSA-N
Molecular Weight 332.417 g/mol
SMILES c12c(c(C)c(c(c2)-c2ccccc2)C(=O)OC)c2ccccc2s1
SPLASH splash10-001i-0019000000-764f9693038136abc110
Source of Spectrum KC-1990-685-12
Synonyms Methyl 1-methyl-3-phenyldibenzothiophene-2-carboxylate Methyl 1-methyl-3-phenyldibenzo[b,d]thiophene-2-carboxylate
Wiley ID 1329656