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(E)-2-(2-Oxo-2-isobutylethylidene)-1-methylcyclopentanecarboxylic Acid
SpectraBase Compound ID 6DQ426zuAd8
InChI InChI=1S/C13H22O3/c1-9(2)7-11(14)8-10-5-4-6-13(10,3)12(15)16/h8-9,11,14H,4-7H2,1-3H3,(H,15,16)/b10-8+/t11-,13+/m0/s1
InChIKey SIBNOLLCBYBUCB-YRFMYUJQSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuO5O5o6gDO
Name (E)-2-(2-Oxo-2-isobutylethylidene)-1-methylcyclopentanecarboxylic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-9(2)7-11(14)8-10-5-4-6-13(10,3)12(15)16/h8-9,11,14H,4-7H2,1-3H3,(H,15,16)/b10-8+/t11-,13+/m0/s1
InChIKey SIBNOLLCBYBUCB-YRFMYUJQSA-N
Molecular Weight 226.316 g/mol
SMILES OC([C@]1(\C(=C\[C@](CC(C)C)(O)[H])CCC1)C)=O
SPLASH splash10-0a4i-2790000000-2c2012d076ab1f720b44
Source of Spectrum J-58-6613-12
Synonyms (R)-2-[(S)-2-Hydroxy-4-methyl-pent-(E)-ylidene]-1-methyl-cyclopentanecarboxylic acid
Wiley ID 1227645