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cis-1-[6'-Bromo-4',4'-bis(ethoxycarbonyl)-6'-heptene-1'-ynyl]-1-methoxy-2-(2"-propenyl)cyclohexane

View entire compound with spectra: 1 MS (GC)

cis-1-[6'-Bromo-4',4'-bis(ethoxycarbonyl)-6'-heptene-1'-ynyl]-1-methoxy-2-(2"-propenyl)cyclohexane
SpectraBase Compound ID HtvS11EFzuN
InChI InChI=1S/C23H33BrO5/c1-6-12-19-13-9-10-15-23(19,27-5)16-11-14-22(17-18(4)24,20(25)28-7-2)21(26)29-8-3/h6,19H,1,4,7-10,12-15,17H2,2-3,5H3/t19-,23-/m0/s1
InChIKey OZMLJWACEIVECK-CVDCTZTESA-N
Mol Weight 469.4 g/mol
Molecular Formula C23H33BrO5
Exact Mass 468.151137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1km3vI4KbLy
Name cis-1-[6'-Bromo-4',4'-bis(ethoxycarbonyl)-6'-heptene-1'-ynyl]-1-methoxy-2-(2"-propenyl)cyclohexane
Alternate Name(s) Diethyl 2-{3-[(1R,2R)-2-allyl-1-methoxycyclohexyl]-2-propynyl}-2-(2-bromo-2-propenyl)malonate
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Formula C23H33BrO5
InChI InChI=1S/C23H33BrO5/c1-6-12-19-13-9-10-15-23(19,27-5)16-11-14-22(17-18(4)24,20(25)28-7-2)21(26)29-8-3/h6,19H,1,4,7-10,12-15,17H2,2-3,5H3/t19-,23-/m0/s1
InChIKey OZMLJWACEIVECK-CVDCTZTESA-N
Molecular Weight 469.416 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)(CC(=C)Br)CC#C[C@@]1([C@@](CC=C)(CCCC1)[H])OC
SPLASH splash10-052u-3590000000-69913792df3a2ee7568a
Source of Spectrum F-52-11558-7
Wiley ID 798526