| SpectraBase Compound ID | Azy3mJiLemC |
|---|---|
| InChI | InChI=1S/C20H24O4S/c1-2-3-4-5-6-13-19(21)23-17-11-7-8-12-18(17)24-20(22)15-16-10-9-14-25-16/h7-12,14H,2-6,13,15H2,1H3 |
| InChIKey | AGLIIXKSKTYUJT-UHFFFAOYSA-N |
| Mol Weight | 360.47 g/mol |
| Molecular Formula | C20H24O4S |
| Exact Mass | 360.13953 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2I0PaRQtoad |
|---|---|
| Name | 1,2-Benzenediol, o-octanoyl-o'-(thiophen-2-acetyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.139530423 u |
| Formula | C20H24O4S |
| InChI | InChI=1S/C20H24O4S/c1-2-3-4-5-6-13-19(21)23-17-11-7-8-12-18(17)24-20(22)15-16-10-9-14-25-16/h7-12,14H,2-6,13,15H2,1H3 |
| InChIKey | AGLIIXKSKTYUJT-UHFFFAOYSA-N |
| Molecular Weight | 360.468 g/mol |
| SMILES | C1(=CC=CC=C1OC(CC1=CC=CS1)=O)OC(CCCCCCC)=O |