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GUAIDIOL

View entire compound with spectra: 3 NMR, and 1 MS (GC)

GUAIDIOL
SpectraBase Compound ID IKndqLF5GNF
InChI InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12+,13+,14+,15+/m1/s1
InChIKey RQHOQQOEZPFYTD-QTVXIADOSA-N
Mol Weight 238.37 g/mol
Molecular Formula C15H26O2
Exact Mass 238.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYgQsLaAMu9
Name (1S,3aS,4S,7R,8aS)-1,4-dimethyl-7-(1-methylethenyl)-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol
Alternate Name(s) (1S,3aS,4S,7R,8aS)-1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol (1S,3aS,4S,7R,8aS)-7-isopropenyl-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol Guaidiol
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Formula C15H26O2
InChI InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12+,13+,14+,15+/m1/s1
InChIKey RQHOQQOEZPFYTD-QTVXIADOSA-N
Molecular Weight 238.371 g/mol
SMILES O[C@@]1([C@@]2([C@@]([C@](CC2)(O)C)(C[C@@](CC1)(C(=C)C)[H])[H])[H])C
SPLASH splash10-0bta-0930000000-31b6acc11659d0db45af
Source of Spectrum G4-61-1534-6
Wiley ID 1607630