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2,5-Dimethoxy-3,4-methylenedioxyphenylacetonitrile
SpectraBase Compound ID 4PTteUjIEim
InChI InChI=1S/C11H11NO4/c1-13-8-5-7(3-4-12)9(14-2)11-10(8)15-6-16-11/h5H,3,6H2,1-2H3
InChIKey IOBXWHOSUNTHIF-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 31prXCRxkcD
Name 2,5-Dimethoxy-3,4-methylenedioxyphenylacetonitrile
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO4
InChI InChI=1S/C11H11NO4/c1-13-8-5-7(3-4-12)9(14-2)11-10(8)15-6-16-11/h5H,3,6H2,1-2H3
InChIKey IOBXWHOSUNTHIF-UHFFFAOYSA-N
Instrument Name Finnigan MAT/INCOS 50
Ionization Type EI
Literature Reference DOI 10.1021/np400310m
Molecular Weight 221.212 g/mol
SMILES c12c(c(cc(c2OCO1)OC)CC#N)OC
SPLASH splash10-05w3-9130000000-ad5e89afd3e44b7e7f0a
Source of Spectrum G4-76-1489-10d
Wiley ID 1865691