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N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-{2-[(2-p-anisoylethyl)thio]-4-hydroxy-1-methyl-1-butenyl}formamide, monohydrochloride

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N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-{2-[(2-p-anisoylethyl)thio]-4-hydroxy-1-methyl-1-butenyl}formamide, monohydrochloride
SpectraBase Compound ID 3MFbazy8X8o
InChI InChI=1S/C22H28N4O4S.ClH/c1-15(26(14-28)13-18-12-24-16(2)25-22(18)23)21(8-10-27)31-11-9-20(29)17-4-6-19(30-3)7-5-17;/h4-7,12,14,27H,8-11,13H2,1-3H3,(H2,23,24,25);1H
InChIKey SBMHSEJILCTAHF-UHFFFAOYSA-N
Mol Weight 481.01 g/mol
Molecular Formula C22H29ClN4O4S
Exact Mass 480.159804 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3EOnRgqe6g6
Name N-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-N-{2-[(2-p-ANISOYLETHYL)THIO]-4-HYDROXY-1-METHYL-1-BUTENYL}FORMAMIDE, MONOHYDROCHLORIDE
Source of Sample J. Klosa, Berlin-Zehlendorf, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29ClN4O4S
InChI InChI=1S/C22H28N4O4S.ClH/c1-15(26(14-28)13-18-12-24-16(2)25-22(18)23)21(8-10-27)31-11-9-20(29)17-4-6-19(30-3)7-5-17;/h4-7,12,14,27H,8-11,13H2,1-3H3,(H2,23,24,25);1H
InChIKey SBMHSEJILCTAHF-UHFFFAOYSA-N
Melting Point 124-126C
Molecular Weight 481.007996
Synonyms THIAMINE 2-P-ANISOYLETHYL SULFIDE, MONOHYDROCHLORIDE FORMAMIDE, N-//4-AMINO-2-METHYL-5- PYRIMIDINYL/METHYL/-N-/2-//2-P-ANISOYL- ETHYL/THIO/-4-HYDROXY-1-METHYL-1- BUTENYL/-, MONOHYDROCHLORIDE
Technique KBr WAFER