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Methyl (E)-5-methyl-2-phenylethynyl-2-hexenoate
SpectraBase Compound ID GZld1ly2aiT
InChI InChI=1S/C16H18O2/c1-13(2)9-11-15(16(17)18-3)12-10-14-7-5-4-6-8-14/h4-8,11,13H,9H2,1-3H3/b15-11+
InChIKey XVQXABHCBVGPBH-RVDMUPIBSA-N
Mol Weight 242.32 g/mol
Molecular Formula C16H18O2
Exact Mass 242.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0kFuNCPbwm
Name Methyl (E)-5-methyl-2-phenylethynyl-2-hexenoate
Alternate Name(s) Methyl (2E)-5-methyl-2-(phenylethynyl)-2-hexenoate (E)-5-methyl-2-(2-phenylethynyl)-2-hexenoic acid methyl ester Methyl (E)-5-methyl-2-(2-phenylethynyl)hex-2-enoate
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Formula C16H18O2
InChI InChI=1S/C16H18O2/c1-13(2)9-11-15(16(17)18-3)12-10-14-7-5-4-6-8-14/h4-8,11,13H,9H2,1-3H3/b15-11+
InChIKey XVQXABHCBVGPBH-RVDMUPIBSA-N
Molecular Weight 242.318 g/mol
SMILES C(\C(C(=O)OC)=C/CC(C)C)#Cc1ccccc1
SPLASH splash10-054o-0940000000-f02761a80b9db659252d
Source of Spectrum PS-54-145-19
Wiley ID 805186