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2,3-Dimethoxy-4,5-methylenedioxyphenylacetonitrile
SpectraBase Compound ID AvNtdjvMW7T
InChI InChI=1S/C11H11NO4/c1-13-9-7(3-4-12)5-8-10(11(9)14-2)16-6-15-8/h5H,3,6H2,1-2H3
InChIKey MFQUTFNNFIXHHR-UHFFFAOYSA-N
Mol Weight 221.21 g/mol
Molecular Formula C11H11NO4
Exact Mass 221.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5j0wkHxPT1J
Name 2,3-Dimethoxy-4,5-methylenedioxyphenylacetonitrile
Appearance Beige solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO4
InChI InChI=1S/C11H11NO4/c1-13-9-7(3-4-12)5-8-10(11(9)14-2)16-6-15-8/h5H,3,6H2,1-2H3
InChIKey MFQUTFNNFIXHHR-UHFFFAOYSA-N
Instrument Name Finnigan MAT/INCOS 50
Ionization Type EI
Literature Reference DOI 10.1021/np400310m
Molecular Weight 221.212 g/mol
SMILES c12cc(c(c(c2OCO1)OC)OC)CC#N
SPLASH splash10-0a6r-9160000000-fd87b0cf903aa555ebaf
Source of Spectrum G4-76-1489-10e
Wiley ID 1865692