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Varenicline ME
SpectraBase Compound ID CZBtTjx0nRZ
InChI InChI=1S/C14H15N3/c1-17-7-9-4-10(8-17)12-6-14-13(5-11(9)12)15-2-3-16-14/h2-3,5-6,9-10H,4,7-8H2,1H3
InChIKey NJHXRPHFYMFVFC-UHFFFAOYSA-N
Mol Weight 225.29 g/mol
Molecular Formula C14H15N3
Exact Mass 225.126597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDYPPGHlUaY
Name Varenicline ME
Classification Antismoking agent
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 225.126597495 u
Formula C14H15N3
InChI InChI=1S/C14H15N3/c1-17-7-9-4-10(8-17)12-6-14-13(5-11(9)12)15-2-3-16-14/h2-3,5-6,9-10H,4,7-8H2,1H3
InChIKey NJHXRPHFYMFVFC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 225.295 g/mol
SMILES c1c2c(cc3c1C1CN(CC3C1)C)nccn2
SPLASH splash10-0a6r-7910000000-0cd89b01f565ef35436d
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_7904