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11-benzyl-1,4,7-tris(p-tolylsulfonyl)-1,4,7,11-tetraazacyclotetradecane
SpectraBase Compound ID ClBeFUyMoF7
InChI InChI=1S/C38H48N4O6S3/c1-32-11-17-36(18-12-32)49(43,44)40-25-7-23-39(31-35-9-5-4-6-10-35)24-8-26-41(50(45,46)37-19-13-33(2)14-20-37)28-30-42(29-27-40)51(47,48)38-21-15-34(3)16-22-38/h4-6,9-22H,7-8,23-31H2,1-3H3
InChIKey IFFJPWBBEKUIHZ-UHFFFAOYSA-N
Mol Weight 753.0 g/mol
Molecular Formula C38H48N4O6S3
Exact Mass 752.273599 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3wAexkKbcN6
Name 11-BENZYL-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 C38H48N4O6S3
InChI InChI=1S/C38H48N4O6S3/c1-32-11-17-36(18-12-32)49(43,44)40-25-7-23-39(31-35-9-5-4-6-10-35)24-8-26-41(50(45,46)37-19-13-33(2)14-20-37)28-30-42(29-27-40)51(47,48)38-21-15-34(3)16-22-38/h4-6,9-22H,7-8,23-31H2,1-3H3
InChIKey IFFJPWBBEKUIHZ-UHFFFAOYSA-N
Literature Reference J. CHEM. SOC. CHEM. COMMUN. 1978, 14 Abstract-Chemical Abstracts= 89, 43369(1978)
Melting Point 162-163C
Molecular Weight 753.004028
Synonyms TETRAAZACYCLOTETRADECANE, 1,4,7,11-, 11-BENZYL-1,4,7-TRIS- /P-TOLYLSULFONYL/-,
Technique KBr WAFER