| SpectraBase Compound ID | KfACKe1A3QQ |
|---|---|
| InChI | InChI=1S/C19H22O4S/c1-2-3-4-5-6-12-18(20)22-15-9-7-10-16(14-15)23-19(21)17-11-8-13-24-17/h7-11,13-14H,2-6,12H2,1H3 |
| InChIKey | KDEVFGRPHQSTTD-UHFFFAOYSA-N |
| Mol Weight | 346.44 g/mol |
| Molecular Formula | C19H22O4S |
| Exact Mass | 346.12388 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DZsmm6wrmDt |
|---|---|
| Name | 1,3-Benzenediol, o-octanoyl-o'-(2-thiophenecarbonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.123880358 u |
| Formula | C19H22O4S |
| InChI | InChI=1S/C19H22O4S/c1-2-3-4-5-6-12-18(20)22-15-9-7-10-16(14-15)23-19(21)17-11-8-13-24-17/h7-11,13-14H,2-6,12H2,1H3 |
| InChIKey | KDEVFGRPHQSTTD-UHFFFAOYSA-N |
| Molecular Weight | 346.441 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(C=1SC=CC1)=O)OC(CCCCCCC)=O |