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a-{1-[(3,3-di-3-thienylallyl)amino]ethyl}benzyl alcohol, hydrochloride
SpectraBase Compound ID Lwmoj47Ud08
InChI InChI=1S/C20H21NOS2.ClH/c1-15(20(22)16-5-3-2-4-6-16)21-10-7-19(17-8-11-23-13-17)18-9-12-24-14-18;/h2-9,11-15,20-22H,10H2,1H3;1H
InChIKey BRPBPTNOXZNOML-UHFFFAOYSA-N
Mol Weight 391.98 g/mol
Molecular Formula C20H22ClNOS2
Exact Mass 391.083134 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J504YJAZf2m
Name alpha-{1-[(3,3-DI-3-THIENYLALLYL)AMINO]ETHYL}BENZYL ALCOHOL, HYDROCHLORIDE
Source of Sample J. Engel, Chemiewerk Homburg, Frankfurt/Main, Germany
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NOS2 HCl
InChI InChI=1S/C20H21NOS2.ClH/c1-15(20(22)16-5-3-2-4-6-16)21-10-7-19(17-8-11-23-13-17)18-9-12-24-14-18;/h2-9,11-15,20-22H,10H2,1H3;1H
InChIKey BRPBPTNOXZNOML-UHFFFAOYSA-N
Melting Point 226-229C (dec.)
Molecular Weight 391.99
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms TINOFEDRIN NOVOCEBRIN BENZYL ALCOHOL, A-/1-//3,3-DI- 3-THIENYLALLYL/AMINO/ETHYL/-, HYDROCHLORIDE