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(3,4-Diethoxyphenyl)acetonitrile
SpectraBase Compound ID s8ZE3u1w4R
InChI InChI=1S/C12H15NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-6,9H,3-4,7H2,1-2H3
InChIKey OBDKFHFLERWBBI-UHFFFAOYSA-N
Mol Weight 205.26 g/mol
Molecular Formula C12H15NO2
Exact Mass 205.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hXzeVs764i
Name (3,4-Diethoxyphenyl)acetonitrile
Alternate Name(s) 2-(3,4-Diethoxyphenyl)acetonitrile 2-(3,4-Diethoxyphenyl)ethanenitrile Benzeneacetonitrile, 3,4-diethoxy- EINECS 248-479-7
CAS Registry Number 27472-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO2
InChI InChI=1S/C12H15NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-6,9H,3-4,7H2,1-2H3
InChIKey OBDKFHFLERWBBI-UHFFFAOYSA-N
Molecular Weight 205.257 g/mol
SMILES CCOc1cc(CC#N)ccc1OCC
SPLASH splash10-052b-5910000000-70a865bfe82b88623120
Wiley ID 1437992