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2-[3',5'-Dimethyl-4'-isoxazolyl)-pentenonitrile
SpectraBase Compound ID GkdQT5TMQOE
InChI InChI=1S/C10H12N2O/c1-4-5-9(6-11)10-7(2)12-13-8(10)3/h5H,4H2,1-3H3/b9-5-
InChIKey DFSIKRKMMHFJHF-UITAMQMPSA-N
Mol Weight 176.22 g/mol
Molecular Formula C10H12N2O
Exact Mass 176.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UPXb7cMU4
Name 2-[3',5'-Dimethyl-4'-isoxazolyl)-pentenonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12N2O
InChI InChI=1S/C10H12N2O/c1-4-5-9(6-11)10-7(2)12-13-8(10)3/h5H,4H2,1-3H3/b9-5-
InChIKey DFSIKRKMMHFJHF-UITAMQMPSA-N
Molecular Weight 176.219 g/mol
SMILES c1(c(onc1C)C)\C(C#N)=C/CC
SPLASH splash10-0006-9200000000-583701f2e67d220d5f9d
Source of Spectrum Y4-83-190-6
Synonyms (2E)-2-(3,5-dimethyl-4-isoxazolyl)-2-pentenenitrile
Wiley ID 1549937