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Phyllyrin tetra-TMS
SpectraBase Compound ID 9LLjnE3OZZk
InChI InChI=1S/C39H66O11Si4/c1-40-30-19-16-25(20-32(30)42-3)34-28-22-44-35(29(28)23-43-34)27-18-17-26(21-31(27)41-2)46-39-38(50-54(13,14)15)37(49-53(10,11)12)36(48-52(7,8)9)33(47-39)24-45-51(4,5)6/h16-21,28-29,33-39H,22-24H2,1-15H3
InChIKey OJSJYBILPLLYHG-UHFFFAOYSA-N
Mol Weight 823.3 g/mol
Molecular Formula C39H66O11Si4
Exact Mass 822.368219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CPRJx4oZH
Name Phyllyrin, 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 822.368219074 u
Formula C39H66O11Si4
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C39H66O11Si4/c1-40-30-19-16-25(20-32(30)42-3)34-28-22-44-35(29(28)23-43-34)27-18-17-26(21-31(27)41-2)46-39-38(50-54(13,14)15)37(49-53(10,11)12)36(48-52(7,8)9)33(47-39)24-45-51(4,5)6/h16-21,28-29,33-39H,22-24H2,1-15H3
InChIKey OJSJYBILPLLYHG-UHFFFAOYSA-N
Molecular Weight 823.286 g/mol
Nominal Mass 822 u
Number of Peaks 384
SMILES c1cc(c(cc1C1OCC2C1COC2c1ccc(cc1OC)OC1OC(C(C(C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C)OC)OC
SPLASH splash10-044i-3975300000-2e68184251def72b15db
Source Forsythia intermedia flowers
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Synonyms Phyllyrin tetra-TMS
Wiley ID VI001042