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4-hydroxy-3-(2-hydroxyethoxy-alpha-{[(p-methoxy-alpha-methylphenethyl)amino]methyl}benzyl alcohol, hemisulfate
SpectraBase Compound ID CXeH15L7lBs
InChI InChI=1S/C20H27NO5.H2O4S/c1-14(11-15-3-6-17(25-2)7-4-15)21-13-19(24)16-5-8-18(23)20(12-16)26-10-9-22;1-5(2,3)4/h3-8,12,14,19,21-24H,9-11,13H2,1-2H3;(H2,1,2,3,4)
InChIKey LLIKYDIPQALMRL-UHFFFAOYSA-N
Mol Weight 410.47 g/mol
Molecular Formula C20H27NO5·½H2O4S
Exact Mass 410.172613 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID FqVPtjx6mTG
Name 4-hydroxy-3-(2-hydroxyethoxy-alpha-{[(p-methoxy-alpha-methylphenethyl)amino]methyl}benzyl alcohol, hemisulfate
Source of Sample J. Deantoni and F. Bourillet, Laboratoires Bruneau, Boulogne-Billancourt, France
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56N2O14S
InChI InChI=1S/C20H27NO5.H2O4S/c1-14(11-15-3-6-17(25-2)7-4-15)21-13-19(24)16-5-8-18(23)20(12-16)26-10-9-22;1-5(2,3)4/h3-8,12,14,19,21-24H,9-11,13H2,1-2H3;(H2,1,2,3,4)
InChIKey LLIKYDIPQALMRL-UHFFFAOYSA-N
Literature Reference EUR. J. MED. CHEM. 13, 545(1978) Abstract-Chemical Abstracts= 90, 168184(1979)
Melting Point 156-158C
Molecular Weight 820.947998
Synonyms BENZYL ALCOHOL, 4-HYDROXY- 3-/2-HYDROXYETHOXY/-A-///P-METHOXY- A-METHYLPHENETHYL/AMINO/METHYL/-, SULFATE /2 TO 1/ /SALT/
Technique KBr WAFER