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(S)-3-isopropyl-6-methylcyclohexadienyl acetate
SpectraBase Compound ID 6Abzbtv2Qwm
InChI InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,7-8,11H,6H2,1-4H3/t11-/m1/s1
InChIKey ACQQDVSDNGCYAB-LLVKDONJSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlTbgFL0SUn
Name (S)-3-isopropyl-6-methylcyclohexadienyl acetate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,7-8,11H,6H2,1-4H3/t11-/m1/s1
InChIKey ACQQDVSDNGCYAB-LLVKDONJSA-N
Instrument Name Agilent Technologies 6890N-HP 5973N series
Ionization Type EI
Molecular Weight 194.274 g/mol
SMILES C(C)(=O)OC1=C[C@@](CC=C1C)(C(C)C)[H]
SPLASH splash10-0a4i-5900000000-d5430279b64052f9083a
Source of Spectrum US2012202774A1
Thin-Layer Chromatography Rf = 0.6 (CyHex/EtOAc, 10:1)
Wiley ID 1845140