| SpectraBase Spectrum ID |
EPyGduz4Lxl |
| Name |
Diacerein, mono-TMS |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
440.092744131 u |
| Formula |
C22H20O8Si |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C22H20O8Si/c1-11(23)28-16-8-6-7-14-18(16)21(26)19-15(20(14)25)9-13(10-17(19)29-12(2)24)22(27)30-31(3,4)5/h6-10H,1-5H3 |
| InChIKey |
IBSLTLIBNBYFBW-UHFFFAOYSA-N |
| Molecular Weight |
440.479 g/mol |
| Nominal Mass |
440 u |
| Number of Peaks |
396 |
| SMILES |
c1(c2C(c3c(cccc3C(c2cc(c1)C(=O)O[Si](C)(C)C)=O)OC(C)=O)=O)OC(C)=O |
| SPLASH |
splash10-052f-1129000000-c9eb18bddfa9a893ba1f |
| Source |
Cayman Chemical |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
Rein 4,5-diacetate, mono-TMS |
| Wiley ID |
VI001750 |
