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

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

7,13-bis(p-tolylsulfonyl)-4,6,7,8,9,10,11,12,13,1,4-decahydro-2,2-dimethyl-15,5-(nitrilometheo)-1,3-dioxino[4,5-j][1,7]diazacyclotridecine
SpectraBase Compound ID 3ypupcx2OVn
InChI InChI=1S/C30H37N3O6S2/c1-22-8-12-25(13-9-22)40(34,35)32-16-6-5-7-17-33(41(36,37)26-14-10-23(2)11-15-26)20-28-29-27(24(19-32)18-31-28)21-38-30(3,4)39-29/h8-15,18H,5-7,16-17,19-21H2,1-4H3
InChIKey MUUOQRURKRVDIH-UHFFFAOYSA-N
Mol Weight 599.8 g/mol
Molecular Formula C30H37N3O6S2
Exact Mass 599.212378 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID HC9Oig8X55O
Name 7,13-BIS(p-TOLYLSULFONYL)-4,6,7,8,9,10,11,12,13,14-DECAHYDRO-2,2-DIMETHYL-15,5(NITRILIMETHENO)-1,3-DIOXINO[4,5-j][1,7]DIAZACYCLOTRIDECINE
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 C30H37N3O6S2
InChI InChI=1S/C30H37N3O6S2/c1-22-8-12-25(13-9-22)40(34,35)32-16-6-5-7-17-33(41(36,37)26-14-10-23(2)11-15-26)20-28-29-27(24(19-32)18-31-28)21-38-30(3,4)39-29/h8-15,18H,5-7,16-17,19-21H2,1-4H3
InChIKey MUUOQRURKRVDIH-UHFFFAOYSA-N
Literature Reference J. ORG. CHEM. 48, 1282(1983) Abstract-Chemical Abstracts= 98, 160688(1983)
Melting Point 245-246C (dec.)
Molecular Weight 599.760986
Synonyms /NITRILOMETHENO/-1,3-DIOXINO/4,5-J/- /1,7/DIAZACYCLOTRIDECINE, 15,5-, 7,13-BIS/P-TOLYLSULFONYL/-4,6,7,8,9,- 10,11,12,13,14-DECAHYDRO-2,2-DIMETHYL-,
Technique KBr WAFER