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2-Amino-2-cyano-4-methyl-pentanethioic acid amide
SpectraBase Compound ID IjPuJ5rt3l0
InChI InChI=1S/C7H13N3S/c1-5(2)3-7(10,4-8)6(9)11/h5H,3,10H2,1-2H3,(H2,9,11)
InChIKey KHXZTKXFAMKAID-UHFFFAOYSA-N
Mol Weight 171.26 g/mol
Molecular Formula C7H13N3S
Exact Mass 171.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lh2FP5G354c
Name 2-Amino-2-cyano-4-methyl-pentanethioic acid amide
Alternate Name(s) 2-Amino-2-cyano-4-methylpentanethioamide 2-Amino-2-cyano-4-methyl-thiovaleramide 2-Amino-2-cyano-4-methyl-pentanethioamide 2-Azanyl-2-cyano-4-methyl-pentanethioamide
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Formula C7H13N3S
InChI InChI=1S/C7H13N3S/c1-5(2)3-7(10,4-8)6(9)11/h5H,3,10H2,1-2H3,(H2,9,11)
InChIKey KHXZTKXFAMKAID-UHFFFAOYSA-N
Molecular Weight 171.262 g/mol
SMILES NC(C(C#N)(CC(C)C)N)=S
SPLASH splash10-0296-9300000000-1a99badbee4f0e1a5ef2
Wiley ID 1489355