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cis-exo-1-Ethoxycarbonyl-2,4-Trimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
SpectraBase Compound ID EXEMumbx11p
InChI InChI=1S/C12H16O4/c1-4-15-11(14)12-6-5-9(16-12)7(2)10(13)8(12)3/h5-9H,4H2,1-3H3/t7-,8-,9-,12+/m1/s1
InChIKey WOPZJSZJFDFTMY-HNBLOZHYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErKbSR931se
Name cis-exo-1-Ethoxycarbonyl-2,4-Trimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-4-15-11(14)12-6-5-9(16-12)7(2)10(13)8(12)3/h5-9H,4H2,1-3H3/t7-,8-,9-,12+/m1/s1
InChIKey WOPZJSZJFDFTMY-HNBLOZHYSA-N
Molecular Weight 224.256 g/mol
SMILES [C@]12(O[C@](C=C2)([C@](C([C@]1(C)[H])=O)(C)[H])[H])C(=O)OCC
SPLASH splash10-00mo-0900000000-9de4f23d63fc8068a94d
Source of Spectrum F-53-11677-22
Synonyms (1S,2S,4R,5R)-2,4-Dimethyl-3-oxo-8-oxa-bicyclo[3.2.1]oct-6-ene-1-carboxylic acid ethyl ester Ethyl (1R,5S)-2,4-dimethyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-ene-1-carboxylate
Wiley ID 803430