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4-[(1R)-2-hydroxy-2,6,6-trimethyl-cyclohexyl]butan-2-one
SpectraBase Compound ID p4B9KU6ztc
InChI InChI=1S/C13H24O2/c1-10(14)6-7-11-12(2,3)8-5-9-13(11,4)15/h11,15H,5-9H2,1-4H3/t11-,13?/m1/s1
InChIKey GMKVTHTVWNMVCJ-JTDNENJMSA-N
Mol Weight 212.33 g/mol
Molecular Formula C13H24O2
Exact Mass 212.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wEkTMk4QxJ
Name 4-[(1R)-2-hydroxy-2,6,6-trimethyl-cyclohexyl]butan-2-one
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O2
InChI InChI=1S/C13H24O2/c1-10(14)6-7-11-12(2,3)8-5-9-13(11,4)15/h11,15H,5-9H2,1-4H3/t11-,13?/m1/s1
InChIKey GMKVTHTVWNMVCJ-JTDNENJMSA-N
Instrument Name Agilent GC 7820A-5977B
Ionization Type EI
Literature Reference DOI 10.1002/anie.202101228
Molecular Weight 212.333 g/mol
SMILES OC1(CCCC([C@]1(CCC(=O)C)[H])(C)C)C
SPLASH splash10-059j-8900000000-48aaf9c1bf69be7b97e9
Source of Spectrum ACI-60-SM45-M16, 6
Wiley ID 1882465