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3-OXO-3-(4'-METHOXYPHENYL)-PROPANENITRILE
SpectraBase Compound ID M85GWd2uTV
InChI InChI=1S/C10H9NO2/c1-13-9-4-2-8(3-5-9)10(12)6-7-11/h2-5H,6H2,1H3
InChIKey IKEPUFCALLUUBC-UHFFFAOYSA-N
Mol Weight 175.19 g/mol
Molecular Formula C10H9NO2
Exact Mass 175.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7nUrdYONT1
Name 3-(4-Methoxyphenyl)-3-oxopropanenitrile
Alternate Name(s) 3-(4-Methoxyphenyl)-3-oxidanylidene-propanenitrile 3-(4-Methoxyphenyl)-3-oxo-propanenitrile 3-keto-3-(4-methoxyphenyl)propionitrile
CAS Registry Number 3672-47-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO2
InChI InChI=1S/C10H9NO2/c1-13-9-4-2-8(3-5-9)10(12)6-7-11/h2-5H,6H2,1H3
InChIKey IKEPUFCALLUUBC-UHFFFAOYSA-N
Molecular Weight 175.187 g/mol
SMILES C(#N)CC(c1ccc(cc1)OC)=O
SPLASH splash10-000i-2900000000-5ed877edc36b3060fd55
Source of Spectrum F-65-9423-7b
Wiley ID 1679803