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Methyl 3-methyl-4-cyanopentanoate
SpectraBase Compound ID HM6Lq5vdfqQ
InChI InChI=1S/C8H13NO2/c1-6(7(2)5-9)4-8(10)11-3/h6-7H,4H2,1-3H3/t6-,7+/m0/s1
InChIKey IRYVJINXNQOVRK-NKWVEPMBSA-N
Mol Weight 155.2 g/mol
Molecular Formula C8H13NO2
Exact Mass 155.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DhQJ7PvDfWr
Name Methyl 3-methyl-4-cyanopentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13NO2
InChI InChI=1S/C8H13NO2/c1-6(7(2)5-9)4-8(10)11-3/h6-7H,4H2,1-3H3/t6-,7+/m0/s1
InChIKey IRYVJINXNQOVRK-NKWVEPMBSA-N
Molecular Weight 155.197 g/mol
SMILES C(#N)[C@]([C@](CC(=O)OC)(C)[H])(C)[H]
SPLASH splash10-0abc-9100000000-d60d40da1d6e5e122f10
Source of Spectrum D1-1994-1055-6
Synonyms (3S,4S)-Methyl 3-methyl-4-cyanopentanoate Methyl 4-cyano-3-methylpentanoate (3S,4S)-4-cyano-3-methylpentanoic acid methyl ester Methyl (3S,4S)-4-cyano-3-methylpentanoate Methyl (3S,4S)-4-cyano-3-methyl-pentanoate
Wiley ID 834519