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4-Methylvaleronitrile
SpectraBase Compound ID 5rCeaCKdHdh
InChI InChI=1S/C6H11N/c1-6(2)4-3-5-7/h6H,3-4H2,1-2H3
InChIKey DUJMVKJJUANUMQ-UHFFFAOYSA-N
Mol Weight 97.16 g/mol
Molecular Formula C6H11N
Exact Mass 97.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQJu9NXVV0K
Name Pentanenitrile, 4-methyl-
Alternate Name(s) 4-Methylpentanenitrile 4-Methylpentanonitrile 4-Methylvaleronitrile Isoamyl cyanide Isoamylkyanid Isocapronitrile Isopentyl cyanide Valeronitrile, 4-methyl- BRN 1698246 EINECS 208-817-6 NSC 6109
CAS Registry Number 542-54-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H11N
InChI InChI=1S/C6H11N/c1-6(2)4-3-5-7/h6H,3-4H2,1-2H3
InChIKey DUJMVKJJUANUMQ-UHFFFAOYSA-N
Molecular Weight 97.161 g/mol
SMILES CC(CCC#N)C
SPLASH splash10-0a4i-9000000000-25ab2c0c6e168fc227ba
Source of Spectrum AD-0-1331-0
Wiley ID 1118393