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1-Ethynylhexyl 2-benzyl-3-oxo-butanoate
SpectraBase Compound ID Imr9mWl7dON
InChI InChI=1S/C19H24O3/c1-4-6-8-13-17(5-2)22-19(21)18(15(3)20)14-16-11-9-7-10-12-16/h2,7,9-12,17-18H,4,6,8,13-14H2,1,3H3
InChIKey JZTHOHRPMSNEGH-UHFFFAOYSA-N
Mol Weight 300.4 g/mol
Molecular Formula C19H24O3
Exact Mass 300.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IraFu4kNp1
Name 1-Ethynylhexyl 2-benzyl-3-oxo-butanoate
Alternate Name(s) 2-Benzyl-3-keto-butyric acid 1-amylprop-2-ynyl ester 3-Oxo-2-(phenylmethyl)butanoic acid oct-1-yn-3-yl ester Oct-1-yn-3-yl 2-benzyl-3-oxobutanoate Oct-1-yn-3-yl 3-oxidanylidene-2-(phenylmethyl)butanoate
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Formula C19H24O3
InChI InChI=1S/C19H24O3/c1-4-6-8-13-17(5-2)22-19(21)18(15(3)20)14-16-11-9-7-10-12-16/h2,7,9-12,17-18H,4,6,8,13-14H2,1,3H3
InChIKey JZTHOHRPMSNEGH-UHFFFAOYSA-N
Molecular Weight 300.398 g/mol
SMILES C(C(C(C)=O)Cc1ccccc1)(=O)OC(C#C)CCCCC
SPLASH splash10-0007-9400000000-c8cb8afdd0225a891161
Source of Spectrum J-64-1382-3
Wiley ID 1529438