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3-[(1S,2S)-2-allyl-3-keto-cycloheptyl]propionic acid ethyl ester
SpectraBase Compound ID B6BNsvxqBBA
InChI InChI=1S/C15H24O3/c1-3-7-13-12(8-5-6-9-14(13)16)10-11-15(17)18-4-2/h3,12-13H,1,4-11H2,2H3/t12-,13-/m0/s1
InChIKey UFUHQSNDHTXTCW-STQMWFEESA-N
Mol Weight 252.35 g/mol
Molecular Formula C15H24O3
Exact Mass 252.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtkrVN64Axh
Name 3-[(1S,2S)-2-allyl-3-keto-cycloheptyl]propionic acid ethyl ester
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Formula C15H24O3
InChI InChI=1S/C15H24O3/c1-3-7-13-12(8-5-6-9-14(13)16)10-11-15(17)18-4-2/h3,12-13H,1,4-11H2,2H3/t12-,13-/m0/s1
InChIKey UFUHQSNDHTXTCW-STQMWFEESA-N
Molecular Weight 252.354 g/mol
SMILES C1([C@]([C@](CCC(=O)OCC)(CCCC1)[H])(CC=C)[H])=O
SPLASH splash10-0pc1-9300000000-8db85b9f9bb7ddefd1ed
Source of Spectrum J-61-6437-12
Synonyms 3-[(1S,2S)-3-oxo-2-prop-2-enylcycloheptyl]propanoic acid ethyl ester Ethyl 3-[(1S,2S)-2-allyl-3-oxo-cycloheptyl]propanoate Ethyl 3-[(1S,2S)-3-oxidanylidene-2-prop-2-enyl-cycloheptyl]propanoate Ethyl 3-[(1S,2S)-3-oxo-2-prop-2-enylcycloheptyl]propanoate
Wiley ID 1255958