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Benzo[b]thiophene-5,6-dicarboxylic acid, 7-methyl-4-propyl-, dimethyl ester
SpectraBase Compound ID GgWUiLIBFPm
InChI InChI=1S/C16H18O4S/c1-5-6-10-11-7-8-21-14(11)9(2)12(15(17)19-3)13(10)16(18)20-4/h7-8H,5-6H2,1-4H3
InChIKey JCKDKQVVRRNLTD-UHFFFAOYSA-N
Mol Weight 306.38 g/mol
Molecular Formula C16H18O4S
Exact Mass 306.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6BZwaBMof7G
Name Benzo[b]thiophene-5,6-dicarboxylic acid, 7-methyl-4-propyl-, dimethyl ester
CAS Registry Number 132526-13-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O4S
InChI InChI=1S/C16H18O4S/c1-5-6-10-11-7-8-21-14(11)9(2)12(15(17)19-3)13(10)16(18)20-4/h7-8H,5-6H2,1-4H3
InChIKey JCKDKQVVRRNLTD-UHFFFAOYSA-N
Molecular Weight 306.376 g/mol
SMILES c1(c(c(CCC)c2c(c1C)scc2)C(=O)OC)C(=O)OC
SPLASH splash10-0avi-0092000000-2f5fdd1ce4eaedab7f8f
Source of Spectrum KC-1990-2915-13
Synonyms Dimethyl 7-methyl-4-propyl-1-benzothiophene-5,6-dicarboxylate Dimethyl 7-methyl-4-propylbenzothiophene-5,6-dicarboxylate
Wiley ID 1307916