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phloretin, 4TMS
SpectraBase Compound ID J7apK3Bj314
InChI InChI=1S/C27H46O5Si4/c1-33(2,3)29-22-16-13-21(14-17-22)15-18-24(28)27-25(31-35(7,8)9)19-23(30-34(4,5)6)20-26(27)32-36(10,11)12/h13-14,16-17,19-20H,15,18H2,1-12H3
InChIKey GEGOCNBHQXQOKY-UHFFFAOYSA-N
Mol Weight 563.0 g/mol
Molecular Formula C27H46O5Si4
Exact Mass 562.242231 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Df14H5X1CKk
Name phloretin, 4TMS
Alternate Name(s) Dihydronaringenin, 4TMS Phloretol, 4TMS Spectrum_001295, 4TMS SpecPlus_000333, 4TMS Spectrum2_000681, 4TMS 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one, 4TMS 3-(4-((trimethylsilyl)oxy)phenyl)-1-(2,4,6-tris((trimethylsilyl)oxy)phenyl)propan-1-one
Comments Derivatization type: 4 TMS (mass: 562.242); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000836; Note: The molecular formula of the structure shown is C15H14O5 - which differs from the formula reported for the mass spectrum (C27H46O5Si4)
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Formula C27H46O5Si4
InChI InChI=1S/C27H46O5Si4/c1-33(2,3)29-22-16-13-21(14-17-22)15-18-24(28)27-25(31-35(7,8)9)19-23(30-34(4,5)6)20-26(27)32-36(10,11)12/h13-14,16-17,19-20H,15,18H2,1-12H3
InChIKey GEGOCNBHQXQOKY-UHFFFAOYSA-N
Molecular Weight 563.000 g/mol
SMILES c1cc(ccc1CCC(c1c(cc(cc1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)=O)O[Si](C)(C)C
SPLASH splash10-002f-0915000000-2cd118505cf4ff16b664
Source of Spectrum FM-2019-836-0
Wiley ID 1818510