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4-(3,4-dimethoxyphenyl)-4-oxobutanenitrile

View entire compound with spectra: 1 MS (GC)

4-(3,4-dimethoxyphenyl)-4-oxobutanenitrile
SpectraBase Compound ID 233fptwNqsa
InChI InChI=1S/C12H13NO3/c1-15-11-6-5-9(8-12(11)16-2)10(14)4-3-7-13/h5-6,8H,3-4H2,1-2H3
InChIKey VXADXTFGDCLVIC-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GO0M2p4hv4l
Name 4-(3,4-dimethoxyphenyl)-4-oxobutanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-15-11-6-5-9(8-12(11)16-2)10(14)4-3-7-13/h5-6,8H,3-4H2,1-2H3
InChIKey VXADXTFGDCLVIC-UHFFFAOYSA-N
Molecular Weight 219.240 g/mol
SMILES c1c(c(cc(c1)C(CCC#N)=O)OC)OC
SPLASH splash10-014i-7910000000-e810259442ea7464db19
Source of Spectrum IY-2-4936-4
Synonyms Benzenebutanenitrile, 3,4-dimethoxy-.gamma.-oxo- 4-(3,4-dimethoxyphenyl)-4-oxo-butanenitrile 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanenitrile
Wiley ID 1657347