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2-(2-(3-hydroxypropyl)-3,5-dimethylphenoxy)benzonitrile
SpectraBase Compound ID DLc6JdxOWj
InChI InChI=1S/C18H19NO2/c1-13-10-14(2)16(7-5-9-20)18(11-13)21-17-8-4-3-6-15(17)12-19/h3-4,6,8,10-11,20H,5,7,9H2,1-2H3
InChIKey GVENNNIDZYZVHX-UHFFFAOYSA-N
Mol Weight 281.35 g/mol
Molecular Formula C18H19NO2
Exact Mass 281.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20AgTEA2Qbp
Name 2-(2-(3-hydroxypropyl)-3,5-dimethylphenoxy)benzonitrile
Appearance White solid
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Exact Mass 281.141578854 u
Formula C18H19NO2
InChI InChI=1S/C18H19NO2/c1-13-10-14(2)16(7-5-9-20)18(11-13)21-17-8-4-3-6-15(17)12-19/h3-4,6,8,10-11,20H,5,7,9H2,1-2H3
InChIKey GVENNNIDZYZVHX-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 281.355 g/mol
Quality 171
SMILES OCCCC1=C(C=C(C=C1C)C)OC1=C(C=CC=C1)C#N
SPLASH splash10-052r-0190000000-c370d229ef019d0e9983
Source of Spectrum CN115243764A
Wiley ID 1894877