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1,3-Butanediol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (R*,R*)-(.+-.)-
SpectraBase Compound ID CAgetKrrcqY
InChI InChI=1S/C13H24O2/c1-9-6-5-7-13(3,4)12(9)11(15)8-10(2)14/h10-11,14-15H,5-8H2,1-4H3/t10-,11-/m1/s1
InChIKey XKWJSKFPYHKQQS-GHMZBOCLSA-N
Mol Weight 212.33 g/mol
Molecular Formula C13H24O2
Exact Mass 212.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ly48LU54lCe
Name 1,3-Butanediol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (R*,R*)-(.+-.)-
Alternate Name(s) (1R,3R)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butanediol 1,1,3-Trimethyl-2-(1,3-dihydroxybutyl)-2-cyclohexene (isomer a)
CAS Registry Number 66890-43-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O2
InChI InChI=1S/C13H24O2/c1-9-6-5-7-13(3,4)12(9)11(15)8-10(2)14/h10-11,14-15H,5-8H2,1-4H3/t10-,11-/m1/s1
InChIKey XKWJSKFPYHKQQS-GHMZBOCLSA-N
Molecular Weight 212.333 g/mol
SMILES O[C@@](C[C@](C1=C(CCCC1(C)C)C)(O)[H])(C)[H]
SPLASH splash10-0kgc-2900000000-65a8ddf00da1ec1f2d1c
Source of Spectrum H-61-1129-0
Wiley ID 1211788