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Ethyl cis-3'-oxo-[1,1'-bi(cyclohexan)]-1'-ene-3-carboxylate
SpectraBase Compound ID CjCdbRMPPHJ
InChI InChI=1S/C15H22O3/c1-2-18-15(17)13-7-3-5-11(9-13)12-6-4-8-14(16)10-12/h10-11,13H,2-9H2,1H3/t11-,13+/m0/s1
InChIKey YGGMJVZTJDOGRT-WCQYABFASA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID U8R99Din7H
Name Ethyl cis-3'-oxo-[1,1'-bi(cyclohexan)]-1'-ene-3-carboxylate
Alternate Name(s) (1S,3R)-ethyl 3'-oxo-[1,1'-bi(cyclohexan)]-1'-ene-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-2-18-15(17)13-7-3-5-11(9-13)12-6-4-8-14(16)10-12/h10-11,13H,2-9H2,1H3/t11-,13+/m0/s1
InChIKey YGGMJVZTJDOGRT-WCQYABFASA-N
Literature Reference DOI 10.1021/ol403673e
Molecular Weight 250.338 g/mol
SMILES C1C[C@@](C[C@@](C1)(C(OCC)=O)[H])(C=1CCCC(C1)=O)[H]
SPLASH splash10-0h01-6940000000-d5024826b15514ef7bec
Source of Spectrum A1-16-924/SM43-3bk
Wiley ID 1747723