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2-Acetyl-3-keto-valeronitrile
SpectraBase Compound ID L9biMP1p2ZZ
InChI InChI=1S/C7H9NO2/c1-3-7(10)6(4-8)5(2)9/h6H,3H2,1-2H3
InChIKey HMSSXRGIQBCDMY-UHFFFAOYSA-N
Mol Weight 139.15 g/mol
Molecular Formula C7H9NO2
Exact Mass 139.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23bDTgIyo4q
Name 2-Acetyl-3-keto-valeronitrile
Alternate Name(s) 2-Acetyl-3-oxo-pentanenitrile 2-Ethanoyl-3-oxidanylidene-pentanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9NO2
InChI InChI=1S/C7H9NO2/c1-3-7(10)6(4-8)5(2)9/h6H,3H2,1-2H3
InChIKey HMSSXRGIQBCDMY-UHFFFAOYSA-N
Molecular Weight 139.154 g/mol
SMILES CC(C(C(CC)=O)C#N)=O
SPLASH splash10-0006-9300000000-a9e230d4e2885a91cc77
Source of Spectrum C5-2004-403-6
Wiley ID 1616643