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1,7,11-tris(p-tolylsulfonyl)-1,4,7,11-tetraazacyclotetradecane-4-acetamide
SpectraBase Compound ID 5GxQWPzXLAF
InChI InChI=1S/C33H45N5O7S3/c1-27-6-12-30(13-7-27)46(40,41)36-18-4-20-37(47(42,43)31-14-8-28(2)9-15-31)24-22-35(26-33(34)39)23-25-38(21-5-19-36)48(44,45)32-16-10-29(3)11-17-32/h6-17H,4-5,18-26H2,1-3H3,(H2,34,39)
InChIKey NDGWLHOPMKOVFR-UHFFFAOYSA-N
Mol Weight 719.9 g/mol
Molecular Formula C33H45N5O7S3
Exact Mass 719.248112 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 5qJ9fNUKisQ
Name 1,7,11-TRIS(p-TOLYLSULFONYL)-1,4,7,11-TETRAAZACYCLOTETRADECANE-4-ACETAMIDE
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 C33H45N5O7S3
InChI InChI=1S/C33H45N5O7S3/c1-27-6-12-30(13-7-27)46(40,41)36-18-4-20-37(47(42,43)31-14-8-28(2)9-15-31)24-22-35(26-33(34)39)23-25-38(21-5-19-36)48(44,45)32-16-10-29(3)11-17-32/h6-17H,4-5,18-26H2,1-3H3,(H2,34,39)
InChIKey NDGWLHOPMKOVFR-UHFFFAOYSA-N
Literature Reference J. CHEM. SOC. CHEM. COMMUN. 1978, 14 Abstract-Chemical Abstracts= 89, 43369(1978)
Melting Point 162-165C
Molecular Weight 719.931030
Synonyms TETRAAZACYCLOTETRADECANE- 4-ACETAMIDE, 1,4,7,11-, 1,7,11-TRIS- /P-TOLYLSULFONYL/-,
Technique KBr WAFER