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Clemastine
SpectraBase Compound ID 3PlKZ54uutj
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/t20-,21-/m1/s1
InChIKey YNNUSGIPVFPVBX-NHCUHLMSSA-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 KsrC5Vhyqw0
Name Clemastine
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
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/t20-,21-/m1/s1
InChIKey YNNUSGIPVFPVBX-NHCUHLMSSA-N
SMILES [C@](OCC[C@]1(CCCN1C)[H])(c1ccc(cc1)Cl)(C)c1ccccc1
SPLASH splash10-001i-9500000000-0047fff2c1d10b001b2a
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences