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(2S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-(4-ketopentyl)-2-methyl-cyclohexan-1-one
SpectraBase Compound ID 1BCf8NxdJtD
InChI InChI=1S/C15H26O3/c1-11(16)6-5-8-15(4)9-7-12(10-13(15)17)14(2,3)18/h12,18H,5-10H2,1-4H3/t12-,15+/m1/s1
InChIKey IQKFJIADNDSMNL-DOMZBBRYSA-N
Mol Weight 254.37 g/mol
Molecular Formula C15H26O3
Exact Mass 254.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EyXo4GzyXcY
Name (2S,5R)-2-methyl-2-(4-oxidanylidenepentyl)-5-(2-oxidanylpropan-2-yl)cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O3
InChI InChI=1S/C15H26O3/c1-11(16)6-5-8-15(4)9-7-12(10-13(15)17)14(2,3)18/h12,18H,5-10H2,1-4H3/t12-,15+/m1/s1
InChIKey IQKFJIADNDSMNL-DOMZBBRYSA-N
Molecular Weight 254.370 g/mol
SMILES OC([C@]1(CC([C@](CC1)(CCCC(=O)C)C)=O)[H])(C)C
SPLASH splash10-03dl-8900000000-5b26efd8752da9caabe0
Source of Spectrum G4-60-1029-16
Synonyms (2S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-(4-ketopentyl)-2-methyl-cyclohexanone (2S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-2-(4-oxopentyl)cyclohexanone (2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-2-(4-oxopentyl)-1-cyclohexanone (2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-2-(4-oxopentyl)cyclohexan-1-one
Wiley ID 1606891