| SpectraBase Compound ID | LdhAaPR9ftb |
|---|---|
| InChI | InChI=1S/C17H20O4S2/c18-16(12-14-6-4-10-22-14)20-8-2-1-3-9-21-17(19)13-15-7-5-11-23-15/h4-7,10-11H,1-3,8-9,12-13H2 |
| InChIKey | JRVMXWXVYOVXNH-UHFFFAOYSA-N |
| Mol Weight | 352.46 g/mol |
| Molecular Formula | C17H20O4S2 |
| Exact Mass | 352.080301 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LhhigkUXZ0R |
|---|---|
| Name | 1,5-Pentanediol, o,o'-di(thiophene-2-acetyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.080301468 u |
| Formula | C17H20O4S2 |
| InChI | InChI=1S/C17H20O4S2/c18-16(12-14-6-4-10-22-14)20-8-2-1-3-9-21-17(19)13-15-7-5-11-23-15/h4-7,10-11H,1-3,8-9,12-13H2 |
| InChIKey | JRVMXWXVYOVXNH-UHFFFAOYSA-N |
| Molecular Weight | 352.463 g/mol |
| SMILES | C(C1=CC=CS1)C(=O)OCCCCCOC(CC=1SC=CC1)=O |