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Monotrimethylsilyl derivative of Nicotinamide
SpectraBase Compound ID 2fBZnssS5ea
InChI InChI=1S/C9H13NO2Si/c1-13(2,3)12-9(11)8-5-4-6-10-7-8/h4-7H,1-3H3
InChIKey PYFBRRMHOWLGJH-UHFFFAOYSA-N
Mol Weight 195.29 g/mol
Molecular Formula C9H13NO2Si
Exact Mass 195.071555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZS6yiF707M
Name Nicotinic acid TMS
CAS Registry Number 25436-37-7
Classification Drug derivative
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 195.071555196 u
Formula C9H13NO2Si
InChI InChI=1S/C9H13NO2Si/c1-13(2,3)12-9(11)8-5-4-6-10-7-8/h4-7H,1-3H3
InChIKey PYFBRRMHOWLGJH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 195.293 g/mol
Nominal Mass 195 u
Quality 997
Retention Index 1433
SMILES C(O[Si](C)(C)C)(C1=CC=CN=C1)=O
SPLASH splash10-0540-5900000000-e11f3b7d1060da830245
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Niacin TMS 3-Pyridinecarboxylic acid,trimethylsilyl ester Trimethylsilyl nicotinate Trimethylsilyl-pyridine-3-carboxylate
Technique GC/MS
Wiley ID DD2024_021687