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

*Links on SpectraBase are not permalinks.
Dimethyl (5R*,7R*)-6,6-diphenyl-1,4-dithiepane-5,7-dicarboxylate
SpectraBase Compound ID HUzK2aMBpPZ
InChI InChI=1S/C21H22O4S2/c1-24-19(22)17-21(15-9-5-3-6-10-15,16-11-7-4-8-12-16)18(20(23)25-2)27-14-13-26-17/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m0/s1
InChIKey AJVSNXZKQCMCGW-ROUUACIJSA-N
Mol Weight 402.52 g/mol
Molecular Formula C21H22O4S2
Exact Mass 402.095952 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 2UDWG2JfQ8
Name Dimethyl (5R*,7R*)-6,6-diphenyl-1,4-dithiepane-5,7-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O4S2
InChI InChI=1S/C21H22O4S2/c1-24-19(22)17-21(15-9-5-3-6-10-15,16-11-7-4-8-12-16)18(20(23)25-2)27-14-13-26-17/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m0/s1
InChIKey AJVSNXZKQCMCGW-ROUUACIJSA-N
Molecular Weight 402.523 g/mol
SMILES C1([C@](C(=O)OC)(SCCS[C@]1(C(=O)OC)[H])[H])(c1ccccc1)c1ccccc1
SPLASH splash10-0a70-1980000000-64542a4036cb83c090c2
Source of Spectrum F-62-3616-10
Synonyms 5,7-Dimethyl (5R,7R)-6,6-diphenyl-1,4-dithiepane-5,7-dicarboxylate
Wiley ID 1633007