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3-(4-Methoxyphenyl)propionitrile
SpectraBase Compound ID DXQXWRtubho
InChI InChI=1S/C10H11NO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7H,2-3H2,1H3
InChIKey ORAXBZFDDWPRRD-UHFFFAOYSA-N
Mol Weight 161.2 g/mol
Molecular Formula C10H11NO
Exact Mass 161.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PQ6q6ALN0r
Name 3-(4-Methoxyphenyl)propionitrile
CAS Registry Number 22442-48-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11NO
InChI InChI=1S/C10H11NO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7H,2-3H2,1H3
InChIKey ORAXBZFDDWPRRD-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol2015972
Molecular Weight 161.204 g/mol
SMILES c1cc(CCC#N)ccc1OC
SPLASH splash10-00di-3900000000-f2f2d46a776769ac267d
Source of Spectrum A1-13-4084/SMS4-3c
Synonyms 3-(p-Methoxyphenyl)propionitrile 3-(4-Methoxyphenyl)propanenitrile Hydrocinnamonitrile, p-methoxy- p-Methoxyhydrocinnamonitrile
Wiley ID 1753595