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3-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]propanenitrile
SpectraBase Compound ID 43AAjw9IoKi
InChI InChI=1S/C13H16N2O2/c1-10(15-8-4-7-14)11-5-6-12(16-2)13(9-11)17-3/h5-6,9H,4,8H2,1-3H3/b15-10+
InChIKey SCFAQJLENVEAJL-XNTDXEJSSA-N
Mol Weight 232.28 g/mol
Molecular Formula C13H16N2O2
Exact Mass 232.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vHFuTzu0p7
Name 3-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]propanenitrile
Appearance White-yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O2
InChI InChI=1S/C13H16N2O2/c1-10(15-8-4-7-14)11-5-6-12(16-2)13(9-11)17-3/h5-6,9H,4,8H2,1-3H3/b15-10+
InChIKey SCFAQJLENVEAJL-XNTDXEJSSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801479
Molecular Weight 232.283 g/mol
Reported Formula C13H16N2O2
SMILES c1(ccc(cc1OC)\C(C)=N\CCC#N)OC
SPLASH splash10-0159-0900000000-ffba22ad03698526f127
Source of Spectrum U1-2019-143-9
Wiley ID 1843588