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1,4,7-tris(p-tolylsulfonyl)-1,4,7,11-tetraazacyclotetradecane

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1,4,7-tris(p-tolylsulfonyl)-1,4,7,11-tetraazacyclotetradecane
SpectraBase Compound ID D9DTqg5Kh7H
InChI InChI=1S/C31H42N4O6S3/c1-26-6-12-29(13-7-26)42(36,37)33-20-4-18-32-19-5-21-34(43(38,39)30-14-8-27(2)9-15-30)23-25-35(24-22-33)44(40,41)31-16-10-28(3)11-17-31/h6-17,32H,4-5,18-25H2,1-3H3
InChIKey KGUFEMBWGLWXSS-UHFFFAOYSA-N
Mol Weight 662.9 g/mol
Molecular Formula C31H42N4O6S3
Exact Mass 662.226649 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 941kF3X0n9U
Name 1,4,7-TRIS(p-TOLYLSULFONYL)-1,4,7,11-TETRAAZACYCLOTETRADECANE
Source of Sample M. Hediger & T. A. Kaden, Institute of Inorganic Chemistry, University of Basel, Basel, Switzerland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H42N4O6S3
InChI InChI=1S/C31H42N4O6S3/c1-26-6-12-29(13-7-26)42(36,37)33-20-4-18-32-19-5-21-34(43(38,39)30-14-8-27(2)9-15-30)23-25-35(24-22-33)44(40,41)31-16-10-28(3)11-17-31/h6-17,32H,4-5,18-25H2,1-3H3
InChIKey KGUFEMBWGLWXSS-UHFFFAOYSA-N
Literature Reference J. CHEM. SOC. CHEM. COMMUN. 1978, 14 Abstract-Chemical Abstracts= 89, 43369(1978)
Melting Point 179-181C
Molecular Weight 662.879028
Synonyms TETRAAZACYCLOTETRADECANE, 1,4,7,11-, 1,4,7-TRIS/P-TOLYLSULFON- YL/-,
Technique KBr WAFER