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2-Propenoic acid, 3-(2,7-dimethyl-8-oxabicyclo[5.1.0]oct-1-yl)-, ethyl ester, [1.alpha.(E),2.alpha.,7.alpha.]-(.+-.)-
SpectraBase Compound ID 3V6ySgiCxUN
InChI InChI=1S/C14H22O3/c1-4-16-12(15)8-10-14-11(2)7-5-6-9-13(14,3)17-14/h8,10-11H,4-7,9H2,1-3H3/b10-8+/t11-,13-,14+/m1/s1
InChIKey LILLWRKPGKUTNJ-VWWNOPSSSA-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 EbFbqeC666k
Name 2-Propenoic acid, 3-(2,7-dimethyl-8-oxabicyclo[5.1.0]oct-1-yl)-, ethyl ester, [1.alpha.(E),2.alpha.,7.alpha.]-(.+-.)-
CAS Registry Number 116662-08-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-4-16-12(15)8-10-14-11(2)7-5-6-9-13(14,3)17-14/h8,10-11H,4-7,9H2,1-3H3/b10-8+/t11-,13-,14+/m1/s1
InChIKey LILLWRKPGKUTNJ-VWWNOPSSSA-N
Molecular Weight 238.327 g/mol
SMILES [C@@]12(O[C@]2(C)CCCC[C@]1(C)[H])\C=C\C(=O)OCC
SPLASH splash10-000f-7900000000-479aa68828823eedd27f
Source of Spectrum F-43-5292-6
Synonyms 8-Oxabicyclo[5.1.0]octane, 2-propenoic acid deriv. Ethyl (2E)-3-[(1R,2R,7R)-2,7-dimethyl-8-oxabicyclo[5.1.0]oct-1-yl]-2-propenoate Ethyl (E)-r-3-(c-2,c-7)-dimethyl-8-oxabicyclo[5.1.0]-oct-1-yl]-2-propenoate
Wiley ID 1240784