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1H-Indole-3-propanoic acid, 1-(trimethylsilyl)-.alpha.-[(trimethylsilyl)oxy]-, trimethylsilyl ester
SpectraBase Compound ID LR6ajnw16Wz
InChI InChI=1S/C20H35NO3Si3/c1-25(2,3)21-15-16(17-12-10-11-13-18(17)21)14-19(23-26(4,5)6)20(22)24-27(7,8)9/h10-13,15,19H,14H2,1-9H3
InChIKey LHBFVGMBUARRHA-UHFFFAOYSA-N
Mol Weight 421.8 g/mol
Molecular Formula C20H35NO3Si3
Exact Mass 421.192474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LifbudcvkV4
Name indole-3-lactate, 3TMS
Comments Derivatization type: 3 TMS (mass: 421.192); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000766; Note: The molecular formula of the structure shown is C11H11NO3 - which differs from the formula reported for the mass spectrum (C20H35NO3Si3)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H35NO3Si3
InChI InChI=1S/C20H35NO3Si3/c1-25(2,3)21-15-16(17-12-10-11-13-18(17)21)14-19(23-26(4,5)6)20(22)24-27(7,8)9/h10-13,15,19H,14H2,1-9H3
InChIKey LHBFVGMBUARRHA-UHFFFAOYSA-N
Molecular Weight 421.759 g/mol
SMILES c1ccc2c(c1)c(CC(C(=O)O[Si](C)(C)C)O[Si](C)(C)C)c[n]2[Si](C)(C)C
SPLASH splash10-0udi-0390000000-f0750c125bcd98a91da9
Source of Spectrum FM-2019-766-0
Synonyms Indolelactate, 3TMS Indole-3-lactic acid, 3TMS dl-Indole-3-lactic acid, 3TMS dl-3-Indolelactic acid, 3TMS 3-(Indol-3-yl)lactic acid, 3TMS I5508_ALDRICH, 3TMS 2-Hydroxy-3-(1H-indol-3-yl)propanoic acid, 3TMS Trimethylsilyl 3-(1-(trimethylsilyl)-1H-indol-3-yl)-2-((trimethylsilyl)oxy)propanoate
Wiley ID 1818442