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Ethyl (1R,4S,5R,6R)-4,7,7-Trimethyl-9-oxabicyclo[4.3.0]non-2-en-5-carboxylate

View entire compound with spectra: 1 MS (GC)

Ethyl (1R,4S,5R,6R)-4,7,7-Trimethyl-9-oxabicyclo[4.3.0]non-2-en-5-carboxylate
SpectraBase Compound ID 4ynECZ1feGh
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-IRCOFANPSA-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 6qXmXUPRKmI
Name Ethyl (1R,4S,5R,6R)-4,7,7-Trimethyl-9-oxabicyclo[4.3.0]non-2-en-5-carboxylate
Alternate Name(s) Ethyl (1.beta.H,6.beta.H)-4,7,7-Trimethyl-9-oxabicyclo[4.3.0]non-2-en-5-carboxylate Ethyl (3aR,4R,5S,7aR)-3,3,5-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)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-IRCOFANPSA-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])[H]
SPLASH splash10-00kf-6900000000-105aa6f9d0d7aa47e1b6
Source of Spectrum SO-0-1152-5
Wiley ID 875703