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Ethyl 2-[.alpha.-hydroxybenzyl]-2,5-dimethyl-3,4-nonadienoate
SpectraBase Compound ID KGziYJVoKtU
InChI InChI=1S/C20H28O3/c1-5-7-11-16(3)14-15-20(4,19(22)23-6-2)18(21)17-12-9-8-10-13-17/h8-10,12-13,15,18,21H,5-7,11H2,1-4H3
InChIKey RJAROAPNNBROJL-UHFFFAOYSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5liPGzrc7fz
Name Ethyl 2-[.alpha.-hydroxybenzyl]-2,5-dimethyl-3,4-nonadienoate
Alternate Name(s) ethyl 2-[hydroxy(phenyl)methyl]-2,5-dimethyl-3,4-nonadienoate
CAS Registry Number 143237-52-9
Comments Less than 3 mono-isotopic peaks
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Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-5-7-11-16(3)14-15-20(4,19(22)23-6-2)18(21)17-12-9-8-10-13-17/h8-10,12-13,15,18,21H,5-7,11H2,1-4H3
InChIKey RJAROAPNNBROJL-UHFFFAOYSA-N
Molecular Weight 316.441 g/mol
SMILES OC(C(C=C=C(CCCC)C)(C(=O)OCC)C)c1ccccc1
SPLASH splash10-00di-0092000000-02b1253cf6f2b1ea5b34
Source of Spectrum K-126-257-8
Wiley ID 1317105