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

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

7,17-bis(p-tolylsulfonyl)-2,2-dimethyl-4,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecahydro-19,5(nitrilometheno)-1,3-dioxino[4,5-d][1,8]diazacycloheptadecine
SpectraBase Compound ID 5i6B2HX05OC
InChI InChI=1S/C34H45N3O6S2/c1-26-12-16-29(17-13-26)44(38,39)36-20-10-8-6-5-7-9-11-21-37(45(40,41)30-18-14-27(2)15-19-30)24-32-33-31(28(23-36)22-35-32)25-42-34(3,4)43-33/h12-19,22H,5-11,20-21,23-25H2,1-4H3
InChIKey YTHBWZLPISQUOY-UHFFFAOYSA-N
Mol Weight 655.9 g/mol
Molecular Formula C34H45N3O6S2
Exact Mass 655.274979 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7p539vI90pA
Name 7,17-BIS(p-TOLYLSULFONYL)-2,2-DIMETHYL-4,6,7,8,9,10,11,12,13,14,15,16,17,18-TETRADECAHYDRO-19,5-(NITRILOMETHENO)-1,3-DIOXINO[4,5-d][1,8]DIAZACYCLOHEPTADECINE
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 C34H45N3O6S2
InChI InChI=1S/C34H45N3O6S2/c1-26-12-16-29(17-13-26)44(38,39)36-20-10-8-6-5-7-9-11-21-37(45(40,41)30-18-14-27(2)15-19-30)24-32-33-31(28(23-36)22-35-32)25-42-34(3,4)43-33/h12-19,22H,5-11,20-21,23-25H2,1-4H3
InChIKey YTHBWZLPISQUOY-UHFFFAOYSA-N
Literature Reference J. ORG. CHEM. 48, 1282(1983) Abstract-Chemical Abstracts= 98, 160688(1983)
Melting Point 159-160C
Molecular Weight 655.869019
Synonyms /NITRILOMETHENO/-1,3-DIOXINO/4,5-D/- /1,8/DIAZACYCLOHEPTADECINE, 19,5-, 7,17-BIS/P-TOLYLSULFONYL/-2,2-DIMETHYL- 4,6,7,8,9,10,11,12,13,14,15,16,17,18- TETRADECAHYDRO-,
Technique KBr WAFER