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4-keto-1-(4-methoxyphenyl)-3,3-dimethyl-azetidine-2-carbonitrile
SpectraBase Compound ID 6LOeOULLmpc
InChI InChI=1S/C13H14N2O2/c1-13(2)11(8-14)15(12(13)16)9-4-6-10(17-3)7-5-9/h4-7,11H,1-3H3
InChIKey BUEFLAIDEHBFCI-UHFFFAOYSA-N
Mol Weight 230.27 g/mol
Molecular Formula C13H14N2O2
Exact Mass 230.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WOihAew4rU
Name 1-(4-Methoxyphenyl)-3,3-dimethyl-4-oxidanylidene-azetidine-2-carbonitrile
Alternate Name(s) 1-(4-Methoxyphenyl)-3,3-dimethyl-4-oxo-2-azetidinecarbonitrile 1-(4-Methoxyphenyl)-3,3-dimethyl-4-oxo-azetidine-2-carbonitrile 4-keto-1-(4-methoxyphenyl)-3,3-dimethyl-azetidine-2-carbonitrile
CAS Registry Number 124870-74-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O2
InChI InChI=1S/C13H14N2O2/c1-13(2)11(8-14)15(12(13)16)9-4-6-10(17-3)7-5-9/h4-7,11H,1-3H3
InChIKey BUEFLAIDEHBFCI-UHFFFAOYSA-N
Molecular Weight 230.267 g/mol
SMILES C1(C(C)(C)C(N1c1ccc(cc1)OC)C#N)=O
SPLASH splash10-000t-1910000000-f32152bec5c85496e436
Source of Spectrum F-45-2759-18
Wiley ID 1231806