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2-Cyano-2-isopropyl-3-methylbutyric acid
SpectraBase Compound ID 3ZaiNvUuyxx
InChI InChI=1S/C9H15NO2/c1-6(2)9(5-10,7(3)4)8(11)12/h6-7H,1-4H3,(H,11,12)
InChIKey UGKAGYIWOQXPKP-UHFFFAOYSA-N
Mol Weight 169.22 g/mol
Molecular Formula C9H15NO2
Exact Mass 169.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABYQbJ53boi
Name 2-Cyano-2-isopropyl-3-methylbutanoic acid
CAS Registry Number 866-29-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15NO2
InChI InChI=1S/C9H15NO2/c1-6(2)9(5-10,7(3)4)8(11)12/h6-7H,1-4H3,(H,11,12)
InChIKey UGKAGYIWOQXPKP-UHFFFAOYSA-N
Molecular Weight 169.224 g/mol
SMILES OC(C(C(C)C)(C#N)C(C)C)=O
SPLASH splash10-03di-4900000000-c7574f3ea0df4dd2f1c3
Source of Spectrum NP-2-4138-0
Synonyms 2-cyano-3-methyl-2-propan-2-ylbutanoic acid 2-cyano-2-isopropyl-3-methyl-butanoic acid 2-cyano-3-methyl-2-propan-2-yl-butanoic acid
Wiley ID 1100941