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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 B18AKzLVAPI
Name 3-Methoxy-4,5-methylenedioxynitrile
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 177.042593086 u
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
Ionization Type Electron Ionization (EI)
Molecular Weight 177.159 g/mol
Nominal Mass 177 u
Quality 977
Retention Index 1356
SMILES C1=2C(=CC(=CC2OC)C#N)OCO1
SPLASH splash10-004i-3900000000-7d1e6838cbf90d812a81
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 7-methoxy-1,3-benzodioxole-5-carbonitrile
Technique GC/MS
Wiley ID DD2024_002004