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4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid methyl ester
SpectraBase Compound ID 6Tm6Pwo2WBg
InChI InChI=1S/C10H12O2S/c1-12-10(11)9-8-5-3-2-4-7(8)6-13-9/h6H,2-5H2,1H3
InChIKey RYFPZWZZXKMYTC-UHFFFAOYSA-N
Mol Weight 196.26 g/mol
Molecular Formula C10H12O2S
Exact Mass 196.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7P6dYDzuUnP
Name 4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid methyl ester
Alternate Name(s) 4,5,6,7-tetrahydroisobenzothiophene-1-carboxylic acid methyl ester Methyl 4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate
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Formula C10H12O2S
InChI InChI=1S/C10H12O2S/c1-12-10(11)9-8-5-3-2-4-7(8)6-13-9/h6H,2-5H2,1H3
InChIKey RYFPZWZZXKMYTC-UHFFFAOYSA-N
Molecular Weight 196.264 g/mol
SMILES c1(scc2c1CCCC2)C(=O)OC
SPLASH splash10-000b-0900000000-1c0b309ad549cf164fa0
Source of Spectrum J-62-1602-5
Wiley ID 1192724