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(1R,2R)-2-isobutyrylcyclobutanecarboxylic acid
SpectraBase Compound ID GY0B2IKOOFM
InChI InChI=1S/C9H14O3/c1-5(2)8(10)6-3-4-7(6)9(11)12/h5-7H,3-4H2,1-2H3,(H,11,12)/t6-,7-/m1/s1
InChIKey JPPYJFOKXIJHEH-RNFRBKRXSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HY6EI6a11KO
Name (1R,2R)-2-isobutyrylcyclobutanecarboxylic acid
Alternate Name(s) (1R,2R)-2-(2-methyl-1-oxopropyl)-1-cyclobutanecarboxylic acid (1R,2R)-2-(2-methylpropanoyl)cyclobutanecarboxylic acid
CAS Registry Number 97181-68-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-5(2)8(10)6-3-4-7(6)9(11)12/h5-7H,3-4H2,1-2H3,(H,11,12)/t6-,7-/m1/s1
InChIKey JPPYJFOKXIJHEH-RNFRBKRXSA-N
Molecular Weight 170.208 g/mol
SMILES OC([C@]1([C@](C(=O)C(C)C)(CC1)[H])[H])=O
SPLASH splash10-004j-7900000000-443c81fd92a8941d1ea5
Source of Spectrum F-41-3701-18
Wiley ID 1166583