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6-Octenenitrile, 4-methyl-2,5-dioxo-
SpectraBase Compound ID 6x6uyBtWFaP
InChI InChI=1S/C9H11NO2/c1-3-4-9(12)7(2)5-8(11)6-10/h3-4,7H,5H2,1-2H3/b4-3+
InChIKey WKHNQKLVTZRCHR-ONEGZZNKSA-N
Mol Weight 165.19 g/mol
Molecular Formula C9H11NO2
Exact Mass 165.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgU30carcMg
Name 6-Octenenitrile, 4-methyl-2,5-dioxo-
CAS Registry Number 101198-53-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO2
InChI InChI=1S/C9H11NO2/c1-3-4-9(12)7(2)5-8(11)6-10/h3-4,7H,5H2,1-2H3/b4-3+
InChIKey WKHNQKLVTZRCHR-ONEGZZNKSA-N
Molecular Weight 165.192 g/mol
SMILES C(#N)C(CC(C(\C=C\C)=O)C)=O
SPLASH splash10-00kf-9000000000-fad4852b736a089186d9
Source of Spectrum J-51-1204-16
Synonyms (6E)-4-methyl-2,5-dioxo-6-octenenitrile 1-Cyano-4-methyl-hept-5-en-1,4-dione
Wiley ID 1161499