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3,5-Dimethoxy-4-hydroxybenzonitrile
SpectraBase Compound ID CN19IpkaHLL
InChI InChI=1S/C9H9NO3/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,11H,1-2H3
InChIKey JKPLQGXXESDJLY-UHFFFAOYSA-N
Mol Weight 179.17 g/mol
Molecular Formula C9H9NO3
Exact Mass 179.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77vybLwwhs8
Name 3,5-Dimethoxy-4-hydroxybenzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO3
InChI InChI=1S/C9H9NO3/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,11H,1-2H3
InChIKey JKPLQGXXESDJLY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200400093
Molecular Weight 179.175 g/mol
SMILES Oc1c(cc(cc1OC)C#N)OC
SPLASH splash10-01t9-1900000000-2eb4d845193f788d7557
Source of Spectrum QA-51-626-4o
Synonyms 4-Hydroxy-3,5-dimethoxybenzonitrile
Wiley ID 1797757