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(2R,3aR)-2-(hydroxymethyl)-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylic acid ethyl ester
SpectraBase Compound ID HufWMY1FPxs
InChI InChI=1S/C12H18O4/c1-2-15-12(14)10-5-3-4-8-6-9(7-13)16-11(8)10/h8-9,13H,2-7H2,1H3/t8-,9-/m1/s1
InChIKey DQVKMRJXQKLLLO-RKDXNWHRSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hu1FMFWr7jq
Name (2R,3aR)-2-(hydroxymethyl)-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylic acid ethyl ester
Alternate Name(s) (2R,3aR)-2-methylol-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylic acid ethyl ester Ethyl (2R,3aR)-2-(hydroxymethyl)-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate Ethyl (2R,3aR)-2-(hydroxymethyl)-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylate
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Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-2-15-12(14)10-5-3-4-8-6-9(7-13)16-11(8)10/h8-9,13H,2-7H2,1H3/t8-,9-/m1/s1
InChIKey DQVKMRJXQKLLLO-RKDXNWHRSA-N
Molecular Weight 226.272 g/mol
SMILES OC[C@@]1(OC2=C(C(=O)OCC)CCC[C@@]2(C1)[H])[H]
SPLASH splash10-0079-0920000000-a60c8cc21fda4ea9fea3
Source of Spectrum QE-7-571-4
Wiley ID 845273