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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 HhrXIGTVNXQ
Name Clemastine
Alternate Name(s) (R)-2-(2-((R)-1-(4-chlorophenyl)-1-phenylethoxy)ethyl)-1-methylpyrrolidine
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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
Molecular Weight 343.898 g/mol
SMILES [C@](OCC[C@@]1(N(CCC1)C)[H])(c1ccccc1)(c1ccc(cc1)Cl)C
SPLASH splash10-001i-9300000000-326f3e9e1cbb2e5b4a75
Source of Spectrum RCM-20-538-Clemastine
Wiley ID 1820514