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Pitofenon
SpectraBase Compound ID 7LNzWjUtyb3
InChI InChI=1S/C22H25NO4/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-16H2,1H3
InChIKey NZHMAQSCHUSSSJ-UHFFFAOYSA-N
Mol Weight 367.45 g/mol
Molecular Formula C22H25NO4
Exact Mass 367.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJY6C8KoU3U
Name Pitofenone
CAS Registry Number 54063-52-4
Classification Pharmaceutical drug, anticholinergic
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 367.178358285 u
Formula C22H25NO4
InChI InChI=1S/C22H25NO4/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-16H2,1H3
InChIKey NZHMAQSCHUSSSJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 367.445 g/mol
Nominal Mass 367 u
Quality 999
Retention Index 2799
SMILES C1(C(C2=CC=C(C=C2)OCCN2CCCCC2)=O)=C(C(OC)=O)C=CC=C1
SPLASH splash10-0002-9100000000-c7f597626a7fba0f92ce
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Pitofenon Methyl 2-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzoate
Technique GC/MS
Wiley ID DD2024_026389