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(Z)-1-Phenyl-3-ethoxycarbonyl-3-octen-1-yne
SpectraBase Compound ID 2yfIrUc0qH4
InChI InChI=1S/C17H20O2/c1-3-5-7-12-16(17(18)19-4-2)14-13-15-10-8-6-9-11-15/h6,8-12H,3-5,7H2,1-2H3/b16-12-
InChIKey IBPIHFQIZMPQMJ-VBKFSLOCSA-N
Mol Weight 256.34 g/mol
Molecular Formula C17H20O2
Exact Mass 256.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J87028kBdgq
Name (Z)-1-Phenyl-3-ethoxycarbonyl-3-octen-1-yne
Alternate Name(s) (Z)-ethyl 2-(phenylethynyl)hept-2-enoate
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Formula C17H20O2
InChI InChI=1S/C17H20O2/c1-3-5-7-12-16(17(18)19-4-2)14-13-15-10-8-6-9-11-15/h6,8-12H,3-5,7H2,1-2H3/b16-12-
InChIKey IBPIHFQIZMPQMJ-VBKFSLOCSA-N
Literature Reference DOI 10.1002/aoc.1502
Molecular Weight 256.345 g/mol
SMILES C(#C\C(=C\CCCC)C(=O)OCC)c1ccccc1
SPLASH splash10-0a4i-0900000000-c1db6f8b36bbb688fcfd
Source of Spectrum AOC-23-233-4b
Wiley ID 1770095