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(3aR,4R,7aS)-3,3,6-Trimethyl-2,3,3a,4,5,7a-hexahydro-benzofuran-4-carboxylic acid ethyl ester
SpectraBase Compound ID DRD3UAVG8nG
InChI InChI=1S/C14H22O3/c1-5-16-13(15)10-6-9(2)7-11-12(10)14(3,4)8-17-11/h7,10-12H,5-6,8H2,1-4H3/t10-,11+,12+/m1/s1
InChIKey RGYLKRFGGWLVIJ-WOPDTQHZSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lx6FLufz9oR
Name (3aR,4R,7aS)-3,3,6-Trimethyl-2,3,3a,4,5,7a-hexahydro-benzofuran-4-carboxylic acid ethyl ester
Alternate Name(s) Ethyl (1.alpha.H,6.beta.H)-3,7,7-Trimethyl-9-oxabicyclo[4.3.0]non-2-en-5-carboxylate Ethyl (3aR,4R,7aS)-3,3,6-trimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-4-carboxylate
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Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-5-16-13(15)10-6-9(2)7-11-12(10)14(3,4)8-17-11/h7,10-12H,5-6,8H2,1-4H3/t10-,11+,12+/m1/s1
InChIKey RGYLKRFGGWLVIJ-WOPDTQHZSA-N
Molecular Weight 238.327 g/mol
SMILES [C@]1([C@]2([C@](OCC2(C)C)([H])C=C(C1)C)[H])(C(=O)OCC)[H]
SPLASH splash10-00kf-9810000000-06bb41cdb0523883a505
Source of Spectrum SO-0-1151-5
Wiley ID 875706