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7,14-bis(p-tolylsulfonyl)-6,7,8,9,10,11,12,13,1,4,15-decahydro-2,2-dimethyl-16,5-(nitrilometheo)-4H-1,3-dioxino[4,5-d][1,8]diazacyclotridecine

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

7,14-bis(p-tolylsulfonyl)-6,7,8,9,10,11,12,13,1,4,15-decahydro-2,2-dimethyl-16,5-(nitrilometheo)-4H-1,3-dioxino[4,5-d][1,8]diazacyclotridecine
SpectraBase Compound ID D7X89ZWY8vd
InChI InChI=1S/C31H39N3O6S2/c1-23-9-13-26(14-10-23)41(35,36)33-17-7-5-6-8-18-34(42(37,38)27-15-11-24(2)12-16-27)21-29-30-28(25(20-33)19-32-29)22-39-31(3,4)40-30/h9-16,19H,5-8,17-18,20-22H2,1-4H3
InChIKey KJGQOXUFLWKYMG-UHFFFAOYSA-N
Mol Weight 613.8 g/mol
Molecular Formula C31H39N3O6S2
Exact Mass 613.228028 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID JElmXLWc2Gx
Name 7,14-BIS(p-TOLYLSULFONYL)-6,7,8,9,10,11,12,13,14,15-DECAHYDRO-2,2-DIMETHYL-16,5-(NITRILOMETHENO)-4H-1,3-DIOXINO[4,5-d][1,8]DIAZACYCLOTETRADECINE
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 C31H39N3O6S2
InChI InChI=1S/C31H39N3O6S2/c1-23-9-13-26(14-10-23)41(35,36)33-17-7-5-6-8-18-34(42(37,38)27-15-11-24(2)12-16-27)21-29-30-28(25(20-33)19-32-29)22-39-31(3,4)40-30/h9-16,19H,5-8,17-18,20-22H2,1-4H3
InChIKey KJGQOXUFLWKYMG-UHFFFAOYSA-N
Literature Reference J. ORG. CHEM. 48, 1282(1983) Abstract-Chemical Abstracts= 98, 160688(1983)
Melting Point 224-225C
Molecular Weight 613.788025
Synonyms /NITRILOMETHENO/-4H-1,3-DIOXINO- /4,5-D//1,8/DIAZACYCLOTETRADECINE, 16,5-, 7,14-BIS/P-TOLYLSULFONYL/- 6,7,8,9,10,11,12,13,14,15-DECAHYDRO- 2,2-DIMETHYL-,
Technique KBr WAFER