| SpectraBase Compound ID | sz5mOr8vE7 |
|---|---|
| InChI | InChI=1S/C18H18O5/c1-12-9-15(21-2)14(10-19)17(22-3)16(12)18(20)23-11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3 |
| InChIKey | SWBBPSPNUVDJNV-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 | LrVTyHONgkk |
|---|---|
| Name | Benzoic acid, 3-formyl-2,4-dimethoxy-6-methyl-, phenylmethyl ester |
| 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/c1-12-9-15(21-2)14(10-19)17(22-3)16(12)18(20)23-11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3 |
| InChIKey | SWBBPSPNUVDJNV-UHFFFAOYSA-N |
| Molecular Weight | 314.337 g/mol |
| SMILES | C=1(C(=C(C=O)C(=CC1C)OC)OC)C(OCC=1C=CC=CC1)=O |