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Tremuloidin, tetra-TMS (tentative)
SpectraBase Compound ID FvqYypxxBA0
InChI InChI=1S/C32H54O8Si4/c1-41(2,3)34-22-25-20-16-17-21-26(25)36-32-30(38-31(33)24-18-14-13-15-19-24)29(40-44(10,11)12)28(39-43(7,8)9)27(37-32)23-35-42(4,5)6/h13-21,27-30,32H,22-23H2,1-12H3
InChIKey SMGXNYKULFDUGS-UHFFFAOYSA-N
Mol Weight 679.1 g/mol
Molecular Formula C32H54O8Si4
Exact Mass 678.289575 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EmARkV3ihkK
Name Tremuloidin, tetra-TMS (tentative)
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 678.289574831 u
Formula C32H54O8Si4
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C32H54O8Si4/c1-41(2,3)34-22-25-20-16-17-21-26(25)36-32-30(38-31(33)24-18-14-13-15-19-24)29(40-44(10,11)12)28(39-43(7,8)9)27(37-32)23-35-42(4,5)6/h13-21,27-30,32H,22-23H2,1-12H3
InChIKey SMGXNYKULFDUGS-UHFFFAOYSA-N
Molecular Weight 679.116 g/mol
Nominal Mass 678 u
Number of Peaks 393
SMILES C[Si](OC1C(OC(=O)c2ccccc2)C(Oc2c(CO[Si](C)(C)C)cccc2)OC(C1O[Si](C)(C)C)CO[Si](C)(C)C)(C)C
SPLASH splash10-0a4i-2922100000-defb60cb4343b6d75d3d
Source aspen (P. tremula) and poplar (P. balsamifera) bark
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI000927