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3-oxocyclohex-1-en-1-yl pivalate
SpectraBase Compound ID 1eWQeoymz2Q
InChI InChI=1S/C11H16O3/c1-11(2,3)10(13)14-9-6-4-5-8(12)7-9/h7H,4-6H2,1-3H3
InChIKey CALGUVSKSDBEDW-UHFFFAOYSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cgXrWgRsz7
Name 3-oxocyclohex-1-en-1-yl pivalate
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-11(2,3)10(13)14-9-6-4-5-8(12)7-9/h7H,4-6H2,1-3H3
InChIKey CALGUVSKSDBEDW-UHFFFAOYSA-N
Instrument Name Agilent Technologies 6890N-HP 5973N series
Ionization Type EI
Molecular Weight 196.246 g/mol
SMILES C(=O)(OC1=CC(CCC1)=O)C(C)(C)C
SPLASH splash10-0a4r-9100000000-7e34ba380db039e0c062
Source of Spectrum US2012202774A1
Thin-Layer Chromatography Rf = 0.78 (CyHex/EtOAc, 1:1)
Wiley ID 1845127