| SpectraBase Compound ID | 5vFf0a2rgIv |
|---|---|
| InChI | InChI=1S/C17H18O4/c1-11-9-14(21-10-13-7-5-4-6-8-13)12(2)16(20-3)15(11)17(18)19/h4-9H,10H2,1-3H3,(H,18,19) |
| InChIKey | VCHWHRJVTPXCMI-UHFFFAOYSA-N |
| Mol Weight | 286.33 g/mol |
| Molecular Formula | C17H18O4 |
| Exact Mass | 286.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 46tNDE3GMtr |
|---|---|
| Name | Benzoic acid, 2-methoxy-3,6-dimethyl-4-(phenylmethoxy)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.120509056 u |
| Formula | C17H18O4 |
| InChI | InChI=1S/C17H18O4/c1-11-9-14(21-10-13-7-5-4-6-8-13)12(2)16(20-3)15(11)17(18)19/h4-9H,10H2,1-3H3,(H,18,19) |
| InChIKey | VCHWHRJVTPXCMI-UHFFFAOYSA-N |
| SMILES | C=1(C(=C(C)C(=CC1C)OCC=1C=CC=CC1)OC)C(=O)O |