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

*Links on SpectraBase are not permalinks.

Diisopropyl 3,4-dicyano-2,2-diphenylthiolane-3,4-dicarboxylate

View entire compound with spectra: 1 MS (GC)

Diisopropyl 3,4-dicyano-2,2-diphenylthiolane-3,4-dicarboxylate
SpectraBase Compound ID 7Uw9IdqY24F
InChI InChI=1S/C26H26N2O4S/c1-18(2)31-22(29)24(15-27)17-33-26(20-11-7-5-8-12-20,21-13-9-6-10-14-21)25(24,16-28)23(30)32-19(3)4/h5-14,18-19H,17H2,1-4H3/t24-,25-/m1/s1
InChIKey SHNSVDDIZSNTCG-JWQCQUIFSA-N
Mol Weight 462.56 g/mol
Molecular Formula C26H26N2O4S
Exact Mass 462.161328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID I7eWU1V6tWi
Name Diisopropyl 3,4-dicyano-2,2-diphenylthiolane-3,4-dicarboxylate
Alternate Name(s) (3R,4R)-3,4-Dicyano-2,2-diphenyl-tetrahydro-thiophene-3,4-dicarboxylic acid diisopropyl ester diisopropyl 3,4-dicyano-2,2-diphenyltetrahydro-3,4-thiophenedicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N2O4S
InChI InChI=1S/C26H26N2O4S/c1-18(2)31-22(29)24(15-27)17-33-26(20-11-7-5-8-12-20,21-13-9-6-10-14-21)25(24,16-28)23(30)32-19(3)4/h5-14,18-19H,17H2,1-4H3/t24-,25-/m1/s1
InChIKey SHNSVDDIZSNTCG-JWQCQUIFSA-N
Molecular Weight 462.564 g/mol
SMILES [C@@]1([C@@](C(OC(C)C)=O)(CSC1(c1ccccc1)c1ccccc1)C#N)(C(OC(C)C)=O)C#N
SPLASH splash10-03fr-0679300000-aff07d5087fd262b196e
Source of Spectrum H-84-996-42
Wiley ID 847636