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Catechin, 3,3',4',7-tetra-TMS (tentative)
SpectraBase Compound ID K10o1tmblPH
InChI InChI=1S/C27H46O6Si4/c1-34(2,3)30-20-16-22(28)21-18-26(33-37(10,11)12)27(29-24(21)17-20)19-13-14-23(31-35(4,5)6)25(15-19)32-36(7,8)9/h13-17,26-28H,18H2,1-12H3
InChIKey KGINGPYAMLHAQR-UHFFFAOYSA-N
Mol Weight 579.0 g/mol
Molecular Formula C27H46O6Si4
Exact Mass 578.237145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ByPDiicm619
Name Catechin, tetra-3,3',4',7-tetra-TMS, epi-isomer (tentative)
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 578.237145335 u
Formula C27H46O6Si4
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C27H46O6Si4/c1-34(2,3)30-20-16-22(28)21-18-26(33-37(10,11)12)27(29-24(21)17-20)19-13-14-23(31-35(4,5)6)25(15-19)32-36(7,8)9/h13-17,26-28H,18H2,1-12H3
InChIKey KGINGPYAMLHAQR-UHFFFAOYSA-N
Molecular Weight 578.999 g/mol
Nominal Mass 578 u
Number of Peaks 50
SMILES Oc1c2CC(C(Oc2cc(c1)O[Si](C)(C)C)c1ccc(c(c1)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-014i-2149000000-fdbed7747a2b9596ef11
Source non completely silanised catechin (Roth) preparation
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Synonyms Catechin, tetra-3,3',4',7-OTMS, epi-isomer (tentative)
Wiley ID VI000702