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Trigonelline chloride
SpectraBase Compound ID HtLpQD56zWp
InChI InChI=1S/C7H7NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h2-5H,1H3;1H
InChIKey TZSYLWAXZMNUJB-UHFFFAOYSA-N
Mol Weight 173.6 g/mol
Molecular Formula C7H8ClNO2
Exact Mass 173.024356 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID KITitSP5GrN
Name Trigonelline chloride
Source of Sample Cayman Chemical Company
Catalog Number 11904
Lot Number 0489486-6
Apodization Function Norton-Beer, medium
CAS Registry Number 6138-41-6
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Formula C7H8ClNO2
IUPAC Name 3-Carboxy-1-methylpyridinium, monochloride
InChI InChI=1S/C7H7NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h2-5H,1H3;1H
InChIKey TZSYLWAXZMNUJB-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 173.599 g/mol
SMILES [Cl-].OC(c1c[n+](ccc1)C)=O
Source of Spectrum Forensic Spectral Research
Synonyms N-Methyl nicotinic acid betaine
Technique KBr0