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Cotinine

View entire compound with spectra: 4 NMR, 2 FTIR, and 8 MS (GC)

Cotinine
SpectraBase Compound ID BjO3PaODPcS
InChI InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3
InChIKey UIKROCXWUNQSPJ-UHFFFAOYSA-N
Mol Weight 176.22 g/mol
Molecular Formula C10H12N2O
Exact Mass 176.094963 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FUvnfiPppOR
Name (-)-Cotinine
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 284718
CAS Registry Number 486-56-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12N2O
InChI InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3
InChIKey UIKROCXWUNQSPJ-UHFFFAOYSA-N
Molecular Weight 176.220 g/mol
Purity 98%
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (S)-1-Methyl-5-(3-pyridyl)-2-pyrrolidinone; S(-)-1-Methyl-5-(3-pyridyl)-2-pyrrolidone
Wiley ID SIAL_VP-FTIR_003045