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1-(Benzoylmethyl)-1-[(3-hydroxybut-2-yl)oxy]-2-isopropyl-5-methylcyclohexane
SpectraBase Compound ID 2SpGQj9NgSq
InChI InChI=1S/C22H34O3/c1-16(2)20-11-10-17(3)14-22(20,25-18(4)12-13-23)15-21(24)19-8-6-5-7-9-19/h5-9,16-18,20,23H,10-15H2,1-4H3/t17?,18-,20?,22?/m1/s1
InChIKey ZRPHQXCEBGCJPE-BMGFQCEASA-N
Mol Weight 346.5 g/mol
Molecular Formula C22H34O3
Exact Mass 346.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6MEiCxepR4t
Name 1-(Benzoylmethyl)-1-[(3-hydroxybut-2-yl)oxy]-2-isopropyl-5-methylcyclohexane
Alternate Name(s) 1-(Benzoylmethyl)-1-[(3-hydroxy-1-methyl-propyl)oxy]-2-isopropyl-5-methylcyclohexane 2-[1-((R)-3-Hydroxy-1-methyl-propoxy)-2-isopropyl-5-methyl-cyclohexyl]-1-phenyl-ethanone 2-[1-(2-hydroxy-1-methylpropoxy)-2-isopropyl-5-methylcyclohexyl]-1-phenylethanone
CAS Registry Number 115346-82-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O3
InChI InChI=1S/C22H34O3/c1-16(2)20-11-10-17(3)14-22(20,25-18(4)12-13-23)15-21(24)19-8-6-5-7-9-19/h5-9,16-18,20,23H,10-15H2,1-4H3/t17?,18-,20?,22?/m1/s1
InChIKey ZRPHQXCEBGCJPE-BMGFQCEASA-N
Molecular Weight 346.511 g/mol
SMILES OCC[C@](OC1(CC(=O)c2ccccc2)C(CCC(C1)C)C(C)C)(C)[H]
SPLASH splash10-0ab9-0910000000-e4cdbc10a5bed73f21de
Source of Spectrum J-57-1420-18
Wiley ID 1339662