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Methyl 5-(2'-chloroethyl)-4-ethyl-2-hydroxy-6-(2'-thienyl)-benzoate
SpectraBase Compound ID J8UI96bLXPJ
InChI InChI=1S/C16H17ClO3S/c1-3-10-9-12(18)15(16(19)20-2)14(11(10)6-7-17)13-5-4-8-21-13/h4-5,8-9,18H,3,6-7H2,1-2H3
InChIKey QWRDCOCTJRUMFZ-UHFFFAOYSA-N
Mol Weight 324.82 g/mol
Molecular Formula C16H17ClO3S
Exact Mass 324.058693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6V52x0y9zm0
Name Methyl 5-(2'-chloroethyl)-4-ethyl-2-hydroxy-6-(2'-thienyl)-benzoate
Alternate Name(s) Methyl 3-(2-chloroethyl)-4-ethyl-6-hydroxy-2-(thiophen-2-yl)benzoate
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Formula C16H17ClO3S
InChI InChI=1S/C16H17ClO3S/c1-3-10-9-12(18)15(16(19)20-2)14(11(10)6-7-17)13-5-4-8-21-13/h4-5,8-9,18H,3,6-7H2,1-2H3
InChIKey QWRDCOCTJRUMFZ-UHFFFAOYSA-N
Molecular Weight 324.822 g/mol
SMILES Oc1c(c(c(c(CC)c1)CCCl)-c1sccc1)C(=O)OC
SPLASH splash10-0006-2091000000-6b1503e57c4061c582c5
Source of Spectrum F5-6-3549-9a
Wiley ID 1733642