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3-Methoxy-4,5-methylenedioxyphenylacetonitrile
SpectraBase Compound ID 4y80DtyXVEO
InChI InChI=1S/C10H9NO3/c1-12-8-4-7(2-3-11)5-9-10(8)14-6-13-9/h4-5H,2,6H2,1H3
InChIKey GOCSYTLFCIVBIF-UHFFFAOYSA-N
Mol Weight 191.19 g/mol
Molecular Formula C10H9NO3
Exact Mass 191.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGAOMTTreKl
Name 3-Methoxy-4,5-methylenedioxyphenylacetonitrile
Appearance Light brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO3
InChI InChI=1S/C10H9NO3/c1-12-8-4-7(2-3-11)5-9-10(8)14-6-13-9/h4-5H,2,6H2,1H3
InChIKey GOCSYTLFCIVBIF-UHFFFAOYSA-N
Instrument Name Finnigan MAT/INCOS 50
Ionization Type EI
Literature Reference DOI 10.1021/np400310m
Molecular Weight 191.186 g/mol
SMILES c12cc(cc(c2OCO1)OC)CC#N
SPLASH splash10-0006-6900000000-7dc851afb08d111d321c
Source of Spectrum G4-76-1489-10b
Wiley ID 1865690