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3-Benzyloxymethyl-3,5,5-trimethyl-cyclohexan-1-one
SpectraBase Compound ID DQpYlw2FtYQ
InChI InChI=1S/C17H24O2/c1-16(2)9-15(18)10-17(3,12-16)13-19-11-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChIKey LMGAJLVSGVOICB-UHFFFAOYSA-N
Mol Weight 260.38 g/mol
Molecular Formula C17H24O2
Exact Mass 260.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kh0NcuUtOTX
Name 3,3,5-trimethyl-5-(phenylmethoxymethyl)-1-cyclohexanone
CAS Registry Number 108743-97-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O2
InChI InChI=1S/C17H24O2/c1-16(2)9-15(18)10-17(3,12-16)13-19-11-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChIKey LMGAJLVSGVOICB-UHFFFAOYSA-N
Molecular Weight 260.377 g/mol
SMILES C1(CC(C)(C)CC(C1)=O)(COCc1ccccc1)C
SPLASH splash10-052u-9500000000-f092a6e3fc498e75d389
Source of Spectrum C-109-4936-18
Synonyms 3,3,5-trimethyl-5-(phenylmethoxymethyl)cyclohexan-1-one 3-(benzoxymethyl)-3,5,5-trimethyl-cyclohexanone 3-[(benzyloxy)methyl]-3,5,5-trimethylcyclohexanone
Wiley ID 1264167