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3-Dibenzothiophenecarboxylic acid, 1-methyl-2-phenyl-, methyl ester
SpectraBase Compound ID F4J54aB2jee
InChI InChI=1S/C21H16O2S/c1-13-19(14-8-4-3-5-9-14)16(21(22)23-2)12-18-20(13)15-10-6-7-11-17(15)24-18/h3-12H,1-2H3
InChIKey LKMNGONONYCTKH-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 6enRXrOj9TT
Name 3-Dibenzothiophenecarboxylic acid, 1-methyl-2-phenyl-, methyl ester
Alternate Name(s) Methyl 1-methyl-2-phenyldibenzo-thiophene-3-carboxylate Methyl 1-methyl-2-phenyldibenzo[b,d]thiophene-3-carboxylate
CAS Registry Number 128406-07-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O2S
InChI InChI=1S/C21H16O2S/c1-13-19(14-8-4-3-5-9-14)16(21(22)23-2)12-18-20(13)15-10-6-7-11-17(15)24-18/h3-12H,1-2H3
InChIKey LKMNGONONYCTKH-UHFFFAOYSA-N
Molecular Weight 332.417 g/mol
SMILES c1(c(c(C)c2c(c1)sc1ccccc21)-c1ccccc1)C(=O)OC
SPLASH splash10-001i-0019000000-6e3553435135a9ab8d0f
Source of Spectrum KC-1990-685-13
Wiley ID 1329657