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2-Acetyl-1-(Z)-p-coumaroyl-3-feruloylglycerol , di-TMS
SpectraBase Compound ID 9m45arqej3k
InChI InChI=1S/C30H40O9Si2/c1-22(31)37-26(20-35-29(32)17-12-23-9-14-25(15-10-23)38-40(3,4)5)21-36-30(33)18-13-24-11-16-27(28(19-24)34-2)39-41(6,7)8/h9-19,26H,20-21H2,1-8H3/b17-12-,18-13+
InChIKey ROYGNRZOMJWBGF-BQWARBPISA-N
Mol Weight 600.8 g/mol
Molecular Formula C30H40O9Si2
Exact Mass 600.221086 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RTkErQDFiv
Name 2-Acetyl-1-(Z)-p-coumaroyl-3-feruloylglycerol , di-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 600.221085929 u
Formula C30H40O9Si2
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C30H40O9Si2/c1-22(31)37-26(20-35-29(32)17-12-23-9-14-25(15-10-23)38-40(3,4)5)21-36-30(33)18-13-24-11-16-27(28(19-24)34-2)39-41(6,7)8/h9-19,26H,20-21H2,1-8H3/b17-12-,18-13+
InChIKey ROYGNRZOMJWBGF-BQWARBPISA-N
Molecular Weight 600.811 g/mol
Nominal Mass 600 u
Number of Peaks 249
SMILES c1(ccc(cc1)\C=C/C(OCC(COC(\C=C\c1ccc(c(c1)OC)O[Si](C)(C)C)=O)OC(C)=O)=O)O[Si](C)(C)C
SPLASH splash10-00xs-5593100000-2d0104610b0c9c31c814
Source aspen (p. tremula) buds
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI000494