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cis-4-(2',3',4'-trimethoxyphenyl)cyclohex-3-ene-1,2-diol
SpectraBase Compound ID HjP8BX55N3Y
InChI InChI=1S/C15H20O5/c1-18-13-7-5-10(14(19-2)15(13)20-3)9-4-6-11(16)12(17)8-9/h5,7-8,11-12,16-17H,4,6H2,1-3H3/t11-,12+/m1/s1
InChIKey NFMCEVCDPOKXIF-NEPJUHHUSA-N
Mol Weight 280.32 g/mol
Molecular Formula C15H20O5
Exact Mass 280.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6DV66PctTkU
Name cis-4-(2',3',4'-trimethoxyphenyl)cyclohex-3-ene-1,2-diol
Alternate Name(s) (1R,2S)-4-(2,3,4-trimethoxyphenyl)-3-cyclohexene-1,2-diol
CAS Registry Number 116211-62-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O5
InChI InChI=1S/C15H20O5/c1-18-13-7-5-10(14(19-2)15(13)20-3)9-4-6-11(16)12(17)8-9/h5,7-8,11-12,16-17H,4,6H2,1-3H3/t11-,12+/m1/s1
InChIKey NFMCEVCDPOKXIF-NEPJUHHUSA-N
Molecular Weight 280.320 g/mol
SMILES O[C@]1(C=C(CC[C@]1(O)[H])c1c(c(OC)c(cc1)OC)OC)[H]
SPLASH splash10-0a4i-0090000000-2f709955390b5911eb0a
Source of Spectrum J-53-4949-12
Wiley ID 1283817