| SpectraBase Spectrum ID |
FxD1ycjcyYh |
| Name |
4,7,10-Trioxotridecanoic acid, methyl ester, tris(cyclic ethylene mercaptole) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
498.088307377 u |
| Formula |
C20H34O2S6 |
| InChI |
InChI=1S/C20H34O2S6/c1-3-5-18(23-11-12-24-18)7-9-20(27-15-16-28-20)10-8-19(25-13-14-26-19)6-4-17(21)22-2/h3-16H2,1-2H3 |
| InChIKey |
BFCUYQLGADPQQC-UHFFFAOYSA-N |
| Molecular Weight |
498.850 g/mol |
| SMILES |
C(=O)(OC)CCC1(SCCS1)CCC1(SCCS1)CCC1(SCCS1)CCC |
| Spectrum/Structure Validation Score (Raman) |
0.839915 |
