For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5,6-dihydro-N-(mercaptomethyl)-5-phenyl-p-dithiin-2,3-dicarboximide, S-ester with O,O-diisobutyl phosphorothioate
SpectraBase Compound ID 3gMtzqmn1os
InChI InChI=1S/C21H28NO4PS4/c1-14(2)10-25-27(28,26-11-15(3)4)30-13-22-20(23)18-19(21(22)24)31-17(12-29-18)16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3
InChIKey YDOIELLGDICLTG-UHFFFAOYSA-N
Mol Weight 517.7 g/mol
Molecular Formula C21H28NO4PS4
Exact Mass 517.06388 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AAzsyCF1J1k
Name 5,6-DIHYDRO-N-(MERCAPTOMETHYL)-5-PHENYL-p-DITHIIN-2,3-DICARBOXIMIDE, S-ESTER WITH O,O-DIISOBUTYL PHOSPHORODITHIOATE
Source of Sample F. Gregan, Comenius University, Bratislava, Czechoslovakia
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28NO4PS4
InChI InChI=1S/C21H28NO4PS4/c1-14(2)10-25-27(28,26-11-15(3)4)30-13-22-20(23)18-19(21(22)24)31-17(12-29-18)16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3
InChIKey YDOIELLGDICLTG-UHFFFAOYSA-N
Literature Reference CHEM. ZVESTI 30, 547(1976) Abstract-Chemical Abstracts= 89, 129459(1978)
Molecular Weight 517.668030
Optical Properties Index of Refraction= (20C) 1.6110
Synonyms P-DITHIIN-2,3-DICARBOXIMIDE, 5,6-DI- HYDRO-N-/MERCAPTOMETHYL/-5-PHENYL-, S-ESTER WITH O,O-DIISOBUTYL PHOSPHORO- DITHIOATE
Technique CAPILLARY CELL: MELT