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2-Acetonyl-3-cyano-2,3-dimethylcyclobutane-1-carboxylic acid
SpectraBase Compound ID IbyCdp4Bm4x
InChI InChI=1S/C11H15NO3/c1-7(13)4-11(3)8(9(14)15)5-10(11,2)6-12/h8H,4-5H2,1-3H3,(H,14,15)
InChIKey JBCUYBXJXHTVKB-UHFFFAOYSA-N
Mol Weight 209.24 g/mol
Molecular Formula C11H15NO3
Exact Mass 209.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQ6lkwZqPbr
Name 2-Acetonyl-3-cyano-2,3-dimethylcyclobutane-1-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C11H15NO3
InChI InChI=1S/C11H15NO3/c1-7(13)4-11(3)8(9(14)15)5-10(11,2)6-12/h8H,4-5H2,1-3H3,(H,14,15)
InChIKey JBCUYBXJXHTVKB-UHFFFAOYSA-N
Molecular Weight 209.245 g/mol
SMILES OC(C1C(C(C#N)(C)C1)(CC(=O)C)C)=O
SPLASH splash10-0006-9000000000-1ec2260fd0510d20fb86
Source of Spectrum Y-30-422-7
Synonyms (1S,2S)-2-Acetyl-3-cyano-2,3-dimethyl-cyclobutanecarboxylic acid 3-cyano-2,3-dimethyl-2-(2-oxopropyl)cyclobutanecarboxylic acid
Wiley ID 1208131