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(Z)-3-Ethoxy-2-(hydroxy(2-methoxyphenyl)methyl)acrylonitrile
SpectraBase Compound ID PlvPNFl3yR
InChI InChI=1S/C13H15NO3/c1-3-17-9-10(8-14)13(15)11-6-4-5-7-12(11)16-2/h4-7,9,13,15H,3H2,1-2H3/b10-9-
InChIKey HWSHRKCGOCIRMX-KTKRTIGZSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHGFySc78n9
Name (Z)-3-Ethoxy-2-(hydroxy(2-methoxyphenyl)methyl)acrylonitrile
Appearance Yellow solid
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Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-3-17-9-10(8-14)13(15)11-6-4-5-7-12(11)16-2/h4-7,9,13,15H,3H2,1-2H3/b10-9-
InChIKey HWSHRKCGOCIRMX-KTKRTIGZSA-N
Instrument Name Finnigan MAT95Q/Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202012085
Molecular Weight 233.267 g/mol
Reported Formula C13H15NO3
SMILES OC(\C(=C/OCC)C#N)c1c(cccc1)OC
SPLASH splash10-052r-2920000000-a3523cdff101a47cf597
Sample Comments Z/E = 99:1
Source of Spectrum ACI-60-SM43-7gk
Wiley ID 1880416