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1,4-Cyclohexanediol, 1-(2-hydroxybutyl)-2,2,6-trimethyl-
SpectraBase Compound ID 4H5j9Clhtu6
InChI InChI=1S/C13H26O3/c1-5-10(14)8-13(16)9(2)6-11(15)7-12(13,3)4/h9-11,14-16H,5-8H2,1-4H3
InChIKey LPPNJVUSBSQRDZ-UHFFFAOYSA-N
Mol Weight 230.35 g/mol
Molecular Formula C13H26O3
Exact Mass 230.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10cM7WvFPBo
Name 1,4-Cyclohexanediol, 1-(2-hydroxybutyl)-2,2,6-trimethyl-
Alternate Name(s) 1-(1',4'-Dihydroxy-2',2',6'-trimethylcyclohexyl)butan-2-ol 1-(2-hydroxybutyl)-2,2,6-trimethyl-1,4-cyclohexanediol
CAS Registry Number 121665-78-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O3
InChI InChI=1S/C13H26O3/c1-5-10(14)8-13(16)9(2)6-11(15)7-12(13,3)4/h9-11,14-16H,5-8H2,1-4H3
InChIKey LPPNJVUSBSQRDZ-UHFFFAOYSA-N
Molecular Weight 230.348 g/mol
SMILES OC1CC(C(C(C1)C)(CC(O)CC)O)(C)C
SPLASH splash10-0006-9010000000-0c141725a49ca3b158d2
Source of Spectrum KC-1988-1395-16
Wiley ID 1231891