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Ethyl 2-benzylocta-2,3-dienoate
SpectraBase Compound ID I2Fst6j8S37
InChI InChI=1S/C17H22O2/c1-3-5-6-10-13-16(17(18)19-4-2)14-15-11-8-7-9-12-15/h7-12H,3-6,14H2,1-2H3
InChIKey DMRFQUUPAIDXHA-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtC1Yldk5SU
Name Ethyl 2-benzylocta-2,3-dienoate
Alternate Name(s) 2-(phenylmethyl)octa-2,3-dienoic acid ethyl ester 2-benzylocta-2,3-dienoic acid ethyl ester ethyl 2-(phenylmethyl)octa-2,3-dienoate
Comments Less than 3 mono-isotopic peaks
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Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-3-5-6-10-13-16(17(18)19-4-2)14-15-11-8-7-9-12-15/h7-12H,3-6,14H2,1-2H3
InChIKey DMRFQUUPAIDXHA-UHFFFAOYSA-N
Molecular Weight 258.361 g/mol
SMILES C(C(=C=CCCCC)Cc1ccccc1)(=O)OCC
SPLASH splash10-0006-9040000000-51026dd132203b92904f
Source of Spectrum H-2005-3943-3
Wiley ID 1563209