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2,6,6-Trimethyl-1-cyclohexene-1-carboxylic acid
SpectraBase Compound ID EMQLR9mUtRo
InChI InChI=1S/C10H16O2/c1-7-5-4-6-10(2,3)8(7)9(11)12/h4-6H2,1-3H3,(H,11,12)
InChIKey XOQRKINTHIDGND-UHFFFAOYSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7epgYxb33MB
Name 2,6,6-Trimethylcyclohex-1-ene-1-carboxylic acid
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-7-5-4-6-10(2,3)8(7)9(11)12/h4-6H2,1-3H3,(H,11,12)
InChIKey XOQRKINTHIDGND-UHFFFAOYSA-N
Instrument Name Shimadzu GC/MS-QP2010S
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.687
Molecular Weight 168.236 g/mol
SMILES OC(C=1C(CCCC1C)(C)C)=O
SPLASH splash10-0zfr-5900000000-049d7c35d2e768115304
Source of Spectrum ARK-2021-148-10
Thin-Layer Chromatography Rf = 0.67 (hexanes/EtOAc, 70:30)
Wiley ID 1873093