| SpectraBase Compound ID | FOsWFKbYAVC |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-13-3-7-15(8-4-13)17(19)21-11-12-22-18(20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3 |
| InChIKey | MBCFDUKUFMUBFO-UHFFFAOYSA-N |
| Mol Weight | 298.34 g/mol |
| Molecular Formula | C18H18O4 |
| Exact Mass | 298.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 75TWGI8832x |
|---|---|
| Name | Benzoic acid, 4-methyl-, 1,2-ethanediyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.120509056 u |
| Formula | C18H18O4 |
| InChI | InChI=1S/C18H18O4/c1-13-3-7-15(8-4-13)17(19)21-11-12-22-18(20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3 |
| InChIKey | MBCFDUKUFMUBFO-UHFFFAOYSA-N |
| SMILES | CC1=CC=C(C=C1)C(=O)OCCOC(=O)C1=CC=C(C=C1)C |