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(1R,2R)-4-[(3R)-3-Hydroxybutyl]-3,3,5-trimethylcyclohex-4-ene-1,2-diol
SpectraBase Compound ID 7O5QmyQZiUE
InChI InChI=1S/C13H24O3/c1-8-7-11(15)12(16)13(3,4)10(8)6-5-9(2)14/h9,11-12,14-16H,5-7H2,1-4H3/t9-,11-,12+/m1/s1
InChIKey CTLCWLLPPJICGT-JLLWLGSASA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGoLmSkcbNp
Name (1R,2R)-4-[(3R)-3-Hydroxybutyl]-3,3,5-trimethylcyclohex-4-ene-1,2-diol
Alternate Name(s) (1R,2R)-4-((R)-3-hydroxybutyl)-3,3,5-trimethylcyclohex-4-ene-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-8-7-11(15)12(16)13(3,4)10(8)6-5-9(2)14/h9,11-12,14-16H,5-7H2,1-4H3/t9-,11-,12+/m1/s1
InChIKey CTLCWLLPPJICGT-JLLWLGSASA-N
Literature Reference DOI 10.1002/cbdv.200690081
Molecular Weight 228.332 g/mol
SMILES O[C@@](CCC1=C(C[C@]([C@@](C1(C)C)(O)[H])(O)[H])C)(C)[H]
SPLASH splash10-0a4r-0900000000-6ba7c03bb1a4f1a140d8
Source of Spectrum CBD-3-796-3
Wiley ID 1790323