| SpectraBase Compound ID | GrAgXFwnLpV |
|---|---|
| InChI | InChI=1S/C18H18O7/c1-9-5-11(19)7-13(20)15(9)18(22)25-12-6-10(2)16(17(21)24-4)14(8-12)23-3/h5-8,19-20H,1-4H3 |
| InChIKey | PZENHDMOADUURQ-UHFFFAOYSA-N |
| Mol Weight | 346.34 g/mol |
| Molecular Formula | C18H18O7 |
| Exact Mass | 346.105253 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LCjLaMxtdIR |
|---|---|
| Name | Methyl ( 2'-o-methyl)lecanorate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.105252913 u |
| Formula | C18H18O7 |
| InChI | InChI=1S/C18H18O7/c1-9-5-11(19)7-13(20)15(9)18(22)25-12-6-10(2)16(17(21)24-4)14(8-12)23-3/h5-8,19-20H,1-4H3 |
| InChIKey | PZENHDMOADUURQ-UHFFFAOYSA-N |
| Molecular Weight | 346.335 g/mol |
| SMILES | C1(C(OC=2C=C(OC)C(=C(C2)C)C(=O)OC)=O)=C(C=C(C=C1C)O)O |