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Epicatechin gallate, hepta-TMS
SpectraBase Compound ID 4XuxmctvROj
InChI InChI=1S/C43H74O10Si7/c1-54(2,3)47-32-27-35-33(36(28-32)49-56(7,8)9)29-38(41(45-35)30-22-23-34(48-55(4,5)6)37(24-30)50-57(10,11)12)46-43(44)31-25-39(51-58(13,14)15)42(53-60(19,20)21)40(26-31)52-59(16,17)18/h22-28,38,41H,29H2,1-21H3
InChIKey BOVGSXZVGTXICC-UHFFFAOYSA-N
Mol Weight 947.6 g/mol
Molecular Formula C43H74O10Si7
Exact Mass 946.366684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyNZghCck4t
Name Epicatechin gallate, hepta-TMS
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 946.366684318 u
Formula C43H74O10Si7
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C43H74O10Si7/c1-54(2,3)47-32-27-35-33(36(28-32)49-56(7,8)9)29-38(41(45-35)30-22-23-34(48-55(4,5)6)37(24-30)50-57(10,11)12)46-43(44)31-25-39(51-58(13,14)15)42(53-60(19,20)21)40(26-31)52-59(16,17)18/h22-28,38,41H,29H2,1-21H3
InChIKey BOVGSXZVGTXICC-UHFFFAOYSA-N
Molecular Weight 947.650 g/mol
Nominal Mass 946 u
Number of Peaks 171
SMILES c1c(c(c(cc1C(OC1C(Oc2cc(cc(c2C1)O[Si](C)(C)C)O[Si](C)(C)C)c1ccc(c(c1)O[Si](C)(C)C)O[Si](C)(C)C)=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-03di-1123090000-0af48947112a740759cc
Source Roth
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI000542