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(3aR,4R,7aS)-3,3-Dimethyl-2,3,3a,4,5,7a-hexahydro-benzofuran-4-carboxylic acid ethyl ester
SpectraBase Compound ID H15NxQSk5cc
InChI InChI=1S/C13H20O3/c1-4-15-12(14)9-6-5-7-10-11(9)13(2,3)8-16-10/h5,7,9-11H,4,6,8H2,1-3H3/t9-,10+,11+/m1/s1
InChIKey VXJBLZRUUWUZGI-VWYCJHECSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GOEEpq211K
Name (3aR,4R,7aS)-3,3-Dimethyl-2,3,3a,4,5,7a-hexahydro-benzofuran-4-carboxylic acid ethyl ester
Alternate Name(s) Ethyl (1.alpha.H,6.beta.H)-7,7-Dimethyl-9-oxabicyclo[4.3.0]non-2-en-5-carboxylate Ethyl (3aR,4R,7aS)-3,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-4-15-12(14)9-6-5-7-10-11(9)13(2,3)8-16-10/h5,7,9-11H,4,6,8H2,1-3H3/t9-,10+,11+/m1/s1
InChIKey VXJBLZRUUWUZGI-VWYCJHECSA-N
Molecular Weight 224.300 g/mol
SMILES [C@@]12([C@](C(=O)OCC)(CC=C[C@@]1(OCC2(C)C)[H])[H])[H]
SPLASH splash10-0f6x-9600000000-c909f23bf00c3f448734
Source of Spectrum SO-0-1151-5
Wiley ID 875708