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4-Hydroxy-4-isopropyl-7-oxooct-5-enenitrile
SpectraBase Compound ID 9oxyY6Z4mhs
InChI InChI=1S/C11H17NO2/c1-9(2)11(14,6-4-8-12)7-5-10(3)13/h5,7,9,14H,4,6H2,1-3H3/b7-5+
InChIKey XDWHQEQAPRBUOJ-FNORWQNLSA-N
Mol Weight 195.26 g/mol
Molecular Formula C11H17NO2
Exact Mass 195.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JuhWcarHCxk
Name 4-Hydroxy-4-isopropyl-7-oxooct-5-enenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO2
InChI InChI=1S/C11H17NO2/c1-9(2)11(14,6-4-8-12)7-5-10(3)13/h5,7,9,14H,4,6H2,1-3H3/b7-5+
InChIKey XDWHQEQAPRBUOJ-FNORWQNLSA-N
Molecular Weight 195.262 g/mol
SMILES OC(CCC#N)(\C=C\C(C)=O)C(C)C
SPLASH splash10-0006-9400000000-f1de24c5ec97d56f9aca
Source of Spectrum SB-44-509-11
Synonyms (5E)-4-hydroxy-4-isopropyl-7-oxo-5-octenenitrile
Wiley ID 744577