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Trimethylacetic acid 2-cyclohexyl-2-oxoethyl ester
SpectraBase Compound ID 65H7M7TMdHV
InChI InChI=1S/C13H22O3/c1-13(2,3)12(15)16-9-11(14)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3
InChIKey IRYWYXDUWNEASA-UHFFFAOYSA-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 FlpYNeGqiDN
Name Trimethylacetic acid 2-cyclohexyl-2-oxoethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-13(2,3)12(15)16-9-11(14)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3
InChIKey IRYWYXDUWNEASA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200800134
Molecular Weight 226.316 g/mol
SMILES C(C(C)(C)C)(=O)OCC(=O)C1CCCCC1
SPLASH splash10-052f-9200000000-0913b0982a612022e18f
Source of Spectrum QA-55-911-6c_3
Synonyms 2-cyclohexyl-2-oxoethyl pivalate
Wiley ID 1796444