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Ethyl 2-(hex-1-yn-1-yl)-1-methylcyclohex-2-ene-1-carboxylate
SpectraBase Compound ID CnwAV3toF3z
InChI InChI=1S/C16H24O2/c1-4-6-7-8-11-14-12-9-10-13-16(14,3)15(17)18-5-2/h12H,4-7,9-10,13H2,1-3H3
InChIKey ZRJPDPMGCLKUNF-UHFFFAOYSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RYrTUrooPA
Name Ethyl 2-(hex-1-yn-1-yl)-1-methylcyclohex-2-ene-1-carboxylate
Appearance Colorless oil.
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Exact Mass 248.177630011 u
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-4-6-7-8-11-14-12-9-10-13-16(14,3)15(17)18-5-2/h12H,4-7,9-10,13H2,1-3H3
InChIKey ZRJPDPMGCLKUNF-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202203068
Molecular Weight 248.366 g/mol
Reported Formula C16H24O2
SMILES C(#CCCCC)C=1C(CCCC1)(C)C(=O)OCC
SPLASH splash10-053r-0090000000-887cf132aafdbaadc5fc
Source of Spectrum QE-29-SM16-16-1 (DOI: 10.1002/chem.202203068)
Thin-Layer Chromatography 0.68 (14% EtOAc/hexane)
Wiley ID 1909433