| SpectraBase Compound ID | GgLiMTpxUBh |
|---|---|
| InChI | InChI=1S/C17H18O2/c1-3-7-14-9-4-5-11-16(14)19-17(18)15-10-6-8-13(2)12-15/h4-6,8-12H,3,7H2,1-2H3 |
| InChIKey | YJYBGNAZUPRTES-UHFFFAOYSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C17H18O2 |
| Exact Mass | 254.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FkQo1Ls3Zuf |
|---|---|
| Name | Benzoic acid, 3-methyl-, 2-propylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.130679818 u |
| Formula | C17H18O2 |
| InChI | InChI=1S/C17H18O2/c1-3-7-14-9-4-5-11-16(14)19-17(18)15-10-6-8-13(2)12-15/h4-6,8-12H,3,7H2,1-2H3 |
| InChIKey | YJYBGNAZUPRTES-UHFFFAOYSA-N |
| Molecular Weight | 254.329 g/mol |
| SMILES | C1=CC=C(C=C1C)C(=O)OC1=CC=CC=C1CCC |