| SpectraBase Spectrum ID |
7gUwmey107r |
| Name |
Probucol |
| CAS Registry Number |
23288-49-5 |
| Classification |
Anticholesteremic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
516.309573132 u |
| Formula |
C31H48O2S2 |
| InChI |
InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3 |
| InChIKey |
FYPMFJGVHOHGLL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
516.843 g/mol |
| SMILES |
c1(cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)SC(C)(C)Sc1cc(c(c(C(C)(C)C)c1)O)C(C)(C)C |
| SPLASH |
splash10-056r-8590000000-14088cf88c24c343c901 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_7531 |
