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(1S,2S,5R)-1-butyl-2-isopropyl-5-methyl-cyclohexanol
SpectraBase Compound ID 8zi9z8YdCsz
InChI InChI=1S/C14H28O/c1-5-6-9-14(15)10-12(4)7-8-13(14)11(2)3/h11-13,15H,5-10H2,1-4H3/t12-,13+,14+/m1/s1
InChIKey WXMAFSUGINSSNU-RDBSUJKOSA-N
Mol Weight 212.38 g/mol
Molecular Formula C14H28O
Exact Mass 212.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yqMugQJ5PF
Name (1S,2S,5R)-1-butyl-2-isopropyl-5-methyl-cyclohexanol
Alternate Name(s) (1S,2S,5R)-1-butyl-5-methyl-2-propan-2-yl-1-cyclohexanol (1S,2S,5R)-1-butyl-5-methyl-2-propan-2-yl-cyclohexan-1-ol
CAS Registry Number 95465-50-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H28O
InChI InChI=1S/C14H28O/c1-5-6-9-14(15)10-12(4)7-8-13(14)11(2)3/h11-13,15H,5-10H2,1-4H3/t12-,13+,14+/m1/s1
InChIKey WXMAFSUGINSSNU-RDBSUJKOSA-N
Molecular Weight 212.377 g/mol
SMILES O[C@@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])CCCC
SPLASH splash10-0059-3900000000-dcdf136dd2d8ca97e59a
Source of Spectrum J-53-3096-14
Wiley ID 1212090