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2-(2-[1-(4-Chlorophenyl)-1-phenylethoxy]ethyl)-1-methylpyrrolidine
SpectraBase Compound ID 3LvOj1tbTxx
InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3
InChIKey YNNUSGIPVFPVBX-UHFFFAOYSA-N
Mol Weight 343.9 g/mol
Molecular Formula C21H26ClNO
Exact Mass 343.170292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2p3XeD2n9QO
Name Clemastine
CAS Registry Number 15686-51-8
Classification Pharmaceutical drug, antihistaminic
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 343.170292160 u
Formula C21H26ClNO
InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3
InChIKey YNNUSGIPVFPVBX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 343.898 g/mol
Nominal Mass 343 u
Quality 997
Retention Index 2415
SMILES C(C=1C=CC(=CC1)Cl)(C=1C=CC=CC1)(OCCC1N(CCC1)C)C
SPLASH splash10-001i-9500000000-2040f6aeb7b46ef6493f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Clemastin Tavegil 2-(2-(1-(4-chlorophenyl)-1-phenylethoxy)ethyl)-1-methylpyrrolidine
Technique GC/MS
Wiley ID DD2024_010294