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7,18-bis(p-tolylsulfonyl)-2,2-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17,18,19-tetradecahydro-20,5-(nitrilometheno)-4H-1,3-dioxino[4,5-d][1,8]diazacyclooctadecine

View entire compound with spectra: 1 NMR, and 1 FTIR

7,18-bis(p-tolylsulfonyl)-2,2-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17,18,19-tetradecahydro-20,5-(nitrilometheno)-4H-1,3-dioxino[4,5-d][1,8]diazacyclooctadecine
SpectraBase Compound ID Iks6LyqDm68
InChI InChI=1S/C35H47N3O6S2/c1-27-13-17-30(18-14-27)45(39,40)37-21-11-9-7-5-6-8-10-12-22-38(46(41,42)31-19-15-28(2)16-20-31)25-33-34-32(29(24-37)23-36-33)26-43-35(3,4)44-34/h13-20,23H,5-12,21-22,24-26H2,1-4H3
InChIKey YXLHTUJJBPXDOO-UHFFFAOYSA-N
Mol Weight 669.9 g/mol
Molecular Formula C35H47N3O6S2
Exact Mass 669.290629 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LOax4QmwhKp
Name 7,18-BIS(p-TOLYLSULFONYL)-2,2-DIMETHYL-6,7,8,9,10,11,12,13,14,15,16,17,18,19-TETRADECAHYDRO-20,5-(NITRILOMETHENO)-4H-1,3-DIOXINO[4,5-d][1,8]DIAZOCYCLOOCTADECINE
Source of Sample M. Iwata, the Institute of Physical and Chemical Research, Saitama, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H47N3O6S2
InChI InChI=1S/C35H47N3O6S2/c1-27-13-17-30(18-14-27)45(39,40)37-21-11-9-7-5-6-8-10-12-22-38(46(41,42)31-19-15-28(2)16-20-31)25-33-34-32(29(24-37)23-36-33)26-43-35(3,4)44-34/h13-20,23H,5-12,21-22,24-26H2,1-4H3
InChIKey YXLHTUJJBPXDOO-UHFFFAOYSA-N
Literature Reference J. ORG. CHEM. 48, 1282(1983) Abstract-Chemical Abstracts= 98, 160688(1983)
Melting Point 141-143C
Molecular Weight 669.895996
Synonyms /NITRILOMETHENO/-4H-1,3-DIOXINO/4,5- D//1,8/DIAZACYCLOOCTADECINE, 20,5-, 7,18-BIS/P-TOLYLSULFONYL/-2,2-DIMETHYL- 6,7,8,9,10,11,12,13,14,15,16,17,18,19- TETRADECAHYDRO-,
Technique KBr WAFER