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3-Methoxy-4,5-methylenedioxynitrile
SpectraBase Compound ID 3oXdZVvfGt5
InChI InChI=1S/C9H7NO3/c1-11-7-2-6(4-10)3-8-9(7)13-5-12-8/h2-3H,5H2,1H3
InChIKey FZYBNFQFTQHSMA-UHFFFAOYSA-N
Mol Weight 177.16 g/mol
Molecular Formula C9H7NO3
Exact Mass 177.042593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9m6gxSSyS17
Name 3-Methoxy-4,5-methylenedioxybenzonitrile
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO3
InChI InChI=1S/C9H7NO3/c1-11-7-2-6(4-10)3-8-9(7)13-5-12-8/h2-3H,5H2,1H3
InChIKey FZYBNFQFTQHSMA-UHFFFAOYSA-N
Instrument Name Finnigan MAT/INCOS 50
Ionization Type EI
Literature Reference DOI 10.1021/np1004278
Molecular Weight 177.159 g/mol
SMILES c1(cc2c(c(c1)OC)OCO2)C#N
SPLASH splash10-004i-0900000000-999873b0c72470d9f0ce
Source of Spectrum G4-73-1801-24d
Wiley ID 1848876