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tetradecanethioic acid, S-ester with N-[(2-mercaptoethyl)amidino]tetradecanamide, hydrochloride
SpectraBase Compound ID 8J5wAkJ44Ya
InChI InChI=1S/C31H61N3O2S.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-29(35)34-31(32)33-27-28-37-30(36)26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-28H2,1-2H3,(H3,32,33,34,35);1H
InChIKey HUIIVIZLJWEQQI-UHFFFAOYSA-N
Mol Weight 576.37 g/mol
Molecular Formula C31H62ClN3O2S
Exact Mass 575.425127 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Bt2hpotv6x9
Name TETRADECANETHIOIC ACID, S-ESTER WITH N-[(2-MERCAPTOETHYL)AMIDINO]TETRADECANAMIDE, HYDROCHLORIDE
Source of Sample W. O. FOYE, MASSACHUSETTS COLLEGE OF PHARMACY, BOSTON, MASSACHUSETTS
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H62ClN3O2S
InChI InChI=1S/C31H61N3O2S.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-29(35)34-31(32)33-27-28-37-30(36)26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-28H2,1-2H3,(H3,32,33,34,35);1H
InChIKey HUIIVIZLJWEQQI-UHFFFAOYSA-N
Literature Reference JMCH 6, 509(1963)
Melting Point 107-109C
Molecular Weight 576.366028
Synonyms TETRADECANOIC ACID, THIO-, S-/2-/3- TETRADECANOYLGUANIDINO/ETHYL/ ESTER, HYDROCHLORIDE
Technique SPLIT MULL