| SpectraBase Compound ID | KOXA6uYfgbh |
|---|---|
| InChI | InChI=1S/C18H18O5/c1-3-12-21-18(20)23-16-7-5-4-6-15(16)22-17(19)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3 |
| InChIKey | PCBLUWUXPGEYSJ-UHFFFAOYSA-N |
| Mol Weight | 314.34 g/mol |
| Molecular Formula | C18H18O5 |
| Exact Mass | 314.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HrchepzF15R |
|---|---|
| Name | 1,2-Benzenediol, o-(4-methylbenzoyl)-o'-propoxycarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.115423675 u |
| Formula | C18H18O5 |
| InChI | InChI=1S/C18H18O5/c1-3-12-21-18(20)23-16-7-5-4-6-15(16)22-17(19)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3 |
| InChIKey | PCBLUWUXPGEYSJ-UHFFFAOYSA-N |
| Molecular Weight | 314.337 g/mol |
| SMILES | C1(=CC=CC=C1OC(=O)C1=CC=C(C)C=C1)OC(OCCC)=O |