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Vanillic acid 4-.beta.-glucoside, penta-TMS
SpectraBase Compound ID 2DyvvmFdpmz
InChI InChI=1S/C29H58O9Si5/c1-31-23-19-21(28(30)38-43(14,15)16)17-18-22(23)33-29-27(37-42(11,12)13)26(36-41(8,9)10)25(35-40(5,6)7)24(34-29)20-32-39(2,3)4/h17-19,24-27,29H,20H2,1-16H3
InChIKey IHIFJMHWTSCIGK-UHFFFAOYSA-N
Mol Weight 691.2 g/mol
Molecular Formula C29H58O9Si5
Exact Mass 690.292716 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1wOJRKJfxY
Name Vanillic acid 4-.beta.-glucoside, penta-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 690.292716114 u
Formula C29H58O9Si5
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C29H58O9Si5/c1-31-23-19-21(28(30)38-43(14,15)16)17-18-22(23)33-29-27(37-42(11,12)13)26(36-41(8,9)10)25(35-40(5,6)7)24(34-29)20-32-39(2,3)4/h17-19,24-27,29H,20H2,1-16H3
InChIKey IHIFJMHWTSCIGK-UHFFFAOYSA-N
Molecular Weight 691.199 g/mol
Nominal Mass 690 u
Number of Peaks 469
SMILES c1(cc(c(cc1)OC1OC(C(C(C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C)OC)C(O[Si](C)(C)C)=O
SPLASH splash10-03k9-6898000000-88403dbde1c77d6e66e8
Source Cayman Chemical
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI001726