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(3aR,4R,7aS)-3,3,5-Trimethyl-2,3,3a,4,5,7a-hexahydro-benzofuran-4-carboxylic acid ethyl ester
SpectraBase Compound ID 3ljenndDCUa
InChI InChI=1S/C14H22O3/c1-5-16-13(15)11-9(2)6-7-10-12(11)14(3,4)8-17-10/h6-7,9-12H,5,8H2,1-4H3/t9?,10-,11+,12+/m0/s1
InChIKey HHVLCCUORXHFMC-FGHRXAJISA-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 IyWct3IlZTs
Name (3aR,4R,7aS)-3,3,5-Trimethyl-2,3,3a,4,5,7a-hexahydro-benzofuran-4-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-5-16-13(15)11-9(2)6-7-10-12(11)14(3,4)8-17-10/h6-7,9-12H,5,8H2,1-4H3/t9?,10-,11+,12+/m0/s1
InChIKey HHVLCCUORXHFMC-FGHRXAJISA-N
Molecular Weight 238.327 g/mol
SMILES [C@@]12([C@](C(=O)OCC)(C(C)C=C[C@@]1(OCC2(C)C)[H])[H])[H]
SPLASH splash10-00kf-6900000000-5981276b18418c59aed8
Source of Spectrum SO-0-1152-5
Synonyms Ethyl (1.alpha.H,6.beta.H)-4,7,7-Trimethyl-9-oxabicyclo[4.3.0]non-2-en-5-carboxylate Ethyl (3aR,4R,7aS)-3,3,5-trimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-4-carboxylate
Wiley ID 875704