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3-Dibenzothiophenecarboxylic acid, 2,4-dimethyl-, methyl ester
SpectraBase Compound ID 11C9CvSkchA
InChI InChI=1S/C16H14O2S/c1-9-8-12-11-6-4-5-7-13(11)19-15(12)10(2)14(9)16(17)18-3/h4-8H,1-3H3
InChIKey FYXCQVNTWUHSDE-UHFFFAOYSA-N
Mol Weight 270.35 g/mol
Molecular Formula C16H14O2S
Exact Mass 270.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pgS7otaedJ
Name 3-Dibenzothiophenecarboxylic acid, 2,4-dimethyl-, methyl ester
Alternate Name(s) Methyl 2,4-dimethyldibenzothiophene-3-carboxylate Methyl 2,4-dimethyldibenzo[b,d]thiophene-3-carboxylate
CAS Registry Number 128405-83-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O2S
InChI InChI=1S/C16H14O2S/c1-9-8-12-11-6-4-5-7-13(11)19-15(12)10(2)14(9)16(17)18-3/h4-8H,1-3H3
InChIKey FYXCQVNTWUHSDE-UHFFFAOYSA-N
Molecular Weight 270.346 g/mol
SMILES c12c(cc(c(c2C)C(=O)OC)C)c2ccccc2s1
SPLASH splash10-00dr-0090000000-480cd0c605f038e52333
Source of Spectrum KC-1990-687-20
Wiley ID 1274291