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Danthron TMS
SpectraBase Compound ID F26359p7MRf
InChI InChI=1S/C17H16O4Si/c1-22(2,3)21-13-9-5-7-11-15(13)17(20)14-10(16(11)19)6-4-8-12(14)18/h4-9,18H,1-3H3
InChIKey DXQDNRQJDNDMBJ-UHFFFAOYSA-N
Mol Weight 312.4 g/mol
Molecular Formula C17H16O4Si
Exact Mass 312.081786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fBoWHhuIC
Name Danthron TMS
Classification Laxative
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Exact Mass 312.081785526 u
Formula C17H16O4Si
InChI InChI=1S/C17H16O4Si/c1-22(2,3)21-13-9-5-7-11-15(13)17(20)14-10(16(11)19)6-4-8-12(14)18/h4-9,18H,1-3H3
InChIKey DXQDNRQJDNDMBJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 312.396 g/mol
SMILES c1ccc2c(C(=O)c3c(cccc3C2=O)O)c1O[Si](C)(C)C
SPLASH splash10-0002-2290000000-eb28e948bb0106f614e7
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_3697