| SpectraBase Compound ID | LqkGCmm06Kw |
|---|---|
| InChI | InChI=1S/C20H24O4S/c1-2-3-4-5-6-12-19(21)23-16-9-7-10-17(14-16)24-20(22)15-18-11-8-13-25-18/h7-11,13-14H,2-6,12,15H2,1H3 |
| InChIKey | SUDQIZGUFHDMIJ-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 | 660w72durvs |
|---|---|
| Name | 1,3-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/c1-2-3-4-5-6-12-19(21)23-16-9-7-10-17(14-16)24-20(22)15-18-11-8-13-25-18/h7-11,13-14H,2-6,12,15H2,1H3 |
| InChIKey | SUDQIZGUFHDMIJ-UHFFFAOYSA-N |
| Molecular Weight | 360.468 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(CCCCCCC)=O)OC(=O)CC=1SC=CC1 |