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Ellagic acid, tetra-TMS
SpectraBase Compound ID BuFO3cfihpW
InChI InChI=1S/C26H38O8Si4/c1-35(2,3)31-17-13-15-19-20-16(26(28)29-23(19)21(17)33-37(7,8)9)14-18(32-36(4,5)6)22(34-38(10,11)12)24(20)30-25(15)27/h13-14H,1-12H3
InChIKey LVUZHSAYDSCQBH-UHFFFAOYSA-N
Mol Weight 590.9 g/mol
Molecular Formula C26H38O8Si4
Exact Mass 590.164374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xqG5nQzztW
Name Ellagic acid, tetra-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 590.164374316 u
Formula C26H38O8Si4
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C26H38O8Si4/c1-35(2,3)31-17-13-15-19-20-16(26(28)29-23(19)21(17)33-37(7,8)9)14-18(32-36(4,5)6)22(34-38(10,11)12)24(20)30-25(15)27/h13-14H,1-12H3
InChIKey LVUZHSAYDSCQBH-UHFFFAOYSA-N
Molecular Weight 590.922 g/mol
Nominal Mass 590 u
Number of Peaks 131
SMILES C1(Oc2c(c(cc3c2-c2c1cc(c(c2OC3=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)=O
SPLASH splash10-00di-9000180000-ab5672b8c07ea1ffbe96
Source Fluka; aspen-type propolis; birch (B. pubescens) buds
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI000395