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2-(chloromethyl)-5-methyl-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylic acid methyl ester
SpectraBase Compound ID HFyzc2ZKdNL
InChI InChI=1S/C12H17ClO3/c1-7-3-8-5-9(6-13)16-11(8)10(4-7)12(14)15-2/h7-9H,3-6H2,1-2H3
InChIKey WTCQZTPZBWRFER-UHFFFAOYSA-N
Mol Weight 244.72 g/mol
Molecular Formula C12H17ClO3
Exact Mass 244.086622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQy33SOevb
Name 2-(chloromethyl)-5-methyl-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylic acid methyl ester
Alternate Name(s) Methyl 2-(chloromethyl)-5-methyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate Methyl 2-(chloromethyl)-5-methyl-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylate
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Formula C12H17ClO3
InChI InChI=1S/C12H17ClO3/c1-7-3-8-5-9(6-13)16-11(8)10(4-7)12(14)15-2/h7-9H,3-6H2,1-2H3
InChIKey WTCQZTPZBWRFER-UHFFFAOYSA-N
Molecular Weight 244.718 g/mol
SMILES C1(=C2C(CC(O2)CCl)CC(C1)C)C(=O)OC
SPLASH splash10-0gbc-1970000000-7690a36a91f5fb6525c4
Source of Spectrum F-70-10022-21
Wiley ID 1597898