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isopropyl beta-D-thiogalactopyranoside, 4TMS
SpectraBase Compound ID 9gpBFLBVb8a
InChI InChI=1S/C21H50O5SSi4/c1-16(2)27-21-20(26-31(12,13)14)19(25-30(9,10)11)18(24-29(6,7)8)17(23-21)15-22-28(3,4)5/h16-21H,15H2,1-14H3
InChIKey IGGCXXYBCBSVFR-UHFFFAOYSA-N
Mol Weight 527.0 g/mol
Molecular Formula C21H50O5SSi4
Exact Mass 526.245602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7fBbfpguzUC
Name isopropyl beta-D-thiogalactopyranoside, 4TMS
Comments Derivatization type: 4 TMS (mass: 526.246); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000624; Note: The molecular formula of the structure shown is C9H18O5S - which differs from the formula reported for the mass spectrum (C21H50O5SSi4)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H50O5SSi4
InChI InChI=1S/C21H50O5SSi4/c1-16(2)27-21-20(26-31(12,13)14)19(25-30(9,10)11)18(24-29(6,7)8)17(23-21)15-22-28(3,4)5/h16-21H,15H2,1-14H3
InChIKey IGGCXXYBCBSVFR-UHFFFAOYSA-N
Molecular Weight 527.026 g/mol
SMILES CC(C)SC1C(C(C(C(CO[Si](C)(C)C)O1)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-014i-0962000000-74abf5b828742f82a4bb
Source of Spectrum FM-2019-624-0
Synonyms Maybridge3_000466, 4TMS I9003_SIGMA, 4TMS Isopropyl beta-D-thioglucoside, 4TMS IPTG, Animal-Free, High Purity, 4TMS Isopropyl-.beta.-D-thiogalactoside, 4TMS Isopropyl beta-D-thioglucopyranoside, 4TMS Isopropyl-beta-D-thiogalactopyranoside, 4TMS 2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol, 4TMS ((2-(isopropylthio)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl)tris(oxy))tris(trimethylsilane)
Wiley ID 1818305