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3-(3,4-Dimethoxyphenyl)-1,3,5-pentanetricarbonitrile
SpectraBase Compound ID 4oK24WPLOls
InChI InChI=1S/C16H17N3O2/c1-20-14-6-5-13(11-15(14)21-2)16(12-19,7-3-9-17)8-4-10-18/h5-6,11H,3-4,7-8H2,1-2H3
InChIKey FXXRVYJJWSQYJV-UHFFFAOYSA-N
Mol Weight 283.33 g/mol
Molecular Formula C16H17N3O2
Exact Mass 283.132077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NQxD3y1fdP
Name 3-(3,4-Dimethoxyphenyl)-1,3,5-pentanetricarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3O2
InChI InChI=1S/C16H17N3O2/c1-20-14-6-5-13(11-15(14)21-2)16(12-19,7-3-9-17)8-4-10-18/h5-6,11H,3-4,7-8H2,1-2H3
InChIKey FXXRVYJJWSQYJV-UHFFFAOYSA-N
Molecular Weight 283.331 g/mol
SMILES C(c1cc(c(OC)cc1)OC)(CCC#N)(CCC#N)C#N
SPLASH splash10-004r-4980000000-0dc1d8f337522c3746c1
Synonyms 3-(3,4-dimethoxyphenyl)pentane-1,3,5-tricarbonitrile 4-Cyano-4-(3,4-dimethoxy-phenyl)-heptanedinitrile
Wiley ID 1456954