| SpectraBase Compound ID | 7r5VsJclDRX |
|---|---|
| InChI | InChI=1S/C19H20O4/c1-3-4-12-22-18(20)16-10-5-6-11-17(16)19(21)23-15-9-7-8-14(2)13-15/h5-11,13H,3-4,12H2,1-2H3 |
| InChIKey | OXEOOZNDZCSMTC-UHFFFAOYSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C19H20O4 |
| Exact Mass | 312.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H1VCLUZavJK |
|---|---|
| Name | Phthalic acid, 3-methylphenyl butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.136159120 u |
| Formula | C19H20O4 |
| InChI | InChI=1S/C19H20O4/c1-3-4-12-22-18(20)16-10-5-6-11-17(16)19(21)23-15-9-7-8-14(2)13-15/h5-11,13H,3-4,12H2,1-2H3 |
| InChIKey | OXEOOZNDZCSMTC-UHFFFAOYSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | C(OC1=CC=CC(=C1)C)(=O)C1=C(C=CC=C1)C(OCCCC)=O |