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(2R,3S,6S)-2-Hydroxymethyl-3-methyl-2-(3'-propenyl)-6-isopropyl cyclohexanone
SpectraBase Compound ID LsWdoKn5ZSO
InChI InChI=1S/C14H24O2/c1-5-8-14(9-15)11(4)6-7-12(10(2)3)13(14)16/h5,10-12,15H,1,6-9H2,2-4H3/t11-,12-,14-/m0/s1
InChIKey IKOZFDQNQVHZKQ-OBJOEFQTSA-N
Mol Weight 224.34 g/mol
Molecular Formula C14H24O2
Exact Mass 224.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FaHTvUyU8MI
Name (2R,3S,6S)-2-Hydroxymethyl-3-methyl-2-(3'-propenyl)-6-isopropyl cyclohexanone
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.177630011 u
Formula C14H24O2
InChI InChI=1S/C14H24O2/c1-5-8-14(9-15)11(4)6-7-12(10(2)3)13(14)16/h5,10-12,15H,1,6-9H2,2-4H3/t11-,12-,14-/m0/s1
InChIKey IKOZFDQNQVHZKQ-OBJOEFQTSA-N
Instrument Name Finigan GCQ
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0002.117
Molecular Weight 224.344 g/mol
Optical Rotation [a]D28 = +85.5 (c = 0.033, CH2Cl2)
Quality 9
SMILES OC[C@]1([C@](CC[C@](C1=O)(C(C)C)[H])(C)[H])CC=C
SPLASH splash10-053r-8920000000-3098682c4056a5d892f8
Source of Spectrum ARK-2001-273-3 (DOI: 10.3998/ark.5550190.0002.117)
Wiley ID 1908663