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DIHYDROXY-BETA-IONONE

View entire compound with spectra: 2 NMR, and 1 MS (GC)

DIHYDROXY-BETA-IONONE
SpectraBase Compound ID EExEuiL5g4b
InChI InChI=1S/C13H22O3/c1-10(14)6-9-13(16)11(2,3)7-5-8-12(13,4)15/h6,9,15-16H,5,7-8H2,1-4H3/b9-6+/t12-,13-/m1/s1
InChIKey AYWGPQFATRWJMF-BHAGLWOSSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BOm2B0k0MLT
Name DIHYDROXY-BETA-IONONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-10(14)6-9-13(16)11(2,3)7-5-8-12(13,4)15/h6,9,15-16H,5,7-8H2,1-4H3/b9-6+/t12-,13-/m1/s1
InChIKey AYWGPQFATRWJMF-BHAGLWOSSA-N
Literature Reference Author H.SASAKI,T.MOROTA,H.NISHIMURA,T.OGINO,T.KATSUHARA,K.SUGAMA,M .CHIN,H.MITSUHASHI
Literature Reference Citation PHYTOCHEM.,30,1997(1991)
Literature Reference DOI 10.1016/0031-9422(91)85055-5
Molecular Weight 226.316 g/mol
Solvent CD3OD
Source File Reference UWLU27657