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Eicosyl caffeate, di-TMS
SpectraBase Compound ID Dn5I6CGyAew
InChI InChI=1S/C35H64O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30-37-35(36)29-27-32-26-28-33(38-40(2,3)4)34(31-32)39-41(5,6)7/h26-29,31H,8-25,30H2,1-7H3/b29-27+
InChIKey HXCRXUBMJACRDB-ORIPQNMZSA-N
Mol Weight 605.1 g/mol
Molecular Formula C35H64O4Si2
Exact Mass 604.434314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9w1p3va7Usa
Name Eicosyl caffeate, 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 604.434313607 u
Formula C35H64O4Si2
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C35H64O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30-37-35(36)29-27-32-26-28-33(38-40(2,3)4)34(31-32)39-41(5,6)7/h26-29,31H,8-25,30H2,1-7H3/b29-27+
InChIKey HXCRXUBMJACRDB-ORIPQNMZSA-N
Molecular Weight 605.063 g/mol
Nominal Mass 604 u
Number of Peaks 92
SMILES C(CCCCCCCCCCCCCCCCCOC(\C=C\c1ccc(c(c1)O[Si](C)(C)C)O[Si](C)(C)C)=O)CC
SPLASH splash10-0a4i-6253009000-8a4e01362f515221765e
Source oak (Q. rubra) buds
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Synonyms 1-Eicosyl caffeate, di-TMS
Wiley ID VI000920