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(1S,3R,4R)-(+)-Ethyl 2-oxabicyclo[2.2.2]oct-5-ene-3-carboxylate

View entire compound with spectra: 1 MS (GC)

(1S,3R,4R)-(+)-Ethyl 2-oxabicyclo[2.2.2]oct-5-ene-3-carboxylate
SpectraBase Compound ID EyTEZPSGeZR
InChI InChI=1S/C10H14O3/c1-2-12-10(11)9-7-3-5-8(13-9)6-4-7/h3,5,7-9H,2,4,6H2,1H3/t7-,8+,9+/m0/s1
InChIKey ZTDMRFGBGCCHCT-DJLDLDEBSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F3T38Bbr5Wu
Name (1S,3R,4R)-(+)-Ethyl 2-oxabicyclo[2.2.2]oct-5-ene-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-2-12-10(11)9-7-3-5-8(13-9)6-4-7/h3,5,7-9H,2,4,6H2,1H3/t7-,8+,9+/m0/s1
InChIKey ZTDMRFGBGCCHCT-DJLDLDEBSA-N
Molecular Weight 182.219 g/mol
SMILES [C@@]1(O[C@]2([H])C=C[C@]1(CC2)[H])(C(=O)OCC)[H]
SPLASH splash10-004i-9000000000-b66d1b8abdf71d48357a
Source of Spectrum J-64-8666-8
Synonyms ethyl (1S,3R,4R)-2-oxabicyclo[2.2.2]oct-5-ene-3-carboxylate ethyl (1R,2R,4S)-3-oxabicyclo[2.2.2]oct-5-ene-2-carboxylate
Wiley ID 1531610