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2-Cyano-4-(3',5'-dimethyl-4'-isoxazolyl)-pimeloonitrile
SpectraBase Compound ID 2ZK42lTab0P
InChI InChI=1S/C13H14N4O/c1-9-13(10(2)18-17-9)12(4-3-5-14)6-11(7-15)8-16/h11-12H,3-4,6H2,1-2H3
InChIKey BTFWQNAYFDYKBS-UHFFFAOYSA-N
Mol Weight 242.28 g/mol
Molecular Formula C13H14N4O
Exact Mass 242.116761 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gm2omlDCtU2
Name 2-Cyano-4-(3',5'-dimethyl-4'-isoxazolyl)-pimeloonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N4O
InChI InChI=1S/C13H14N4O/c1-9-13(10(2)18-17-9)12(4-3-5-14)6-11(7-15)8-16/h11-12H,3-4,6H2,1-2H3
InChIKey BTFWQNAYFDYKBS-UHFFFAOYSA-N
Molecular Weight 242.282 g/mol
SMILES c1(c(onc1C)C)C(CC(C#N)C#N)CCC#N
SPLASH splash10-0f77-4920000000-d2441f3ffdcfea55af88
Source of Spectrum Y4-83-191-29
Synonyms 3-(3,5-dimethyl-4-isoxazolyl)-1,1,5-pentanetricarbonitrile
Wiley ID 1549973