| SpectraBase Compound ID | GgY74k7c8vs |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-4-9-15(3)23-19(21)16-11-6-7-12-17(16)20(22)24-18-13-8-5-10-14(18)2/h5-8,10-13,15H,4,9H2,1-3H3 |
| InChIKey | RRSNBZVUVSSDDA-UHFFFAOYSA-N |
| Mol Weight | 326.39 g/mol |
| Molecular Formula | C20H22O4 |
| Exact Mass | 326.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Iqg55dMrgH |
|---|---|
| Name | Phthalic acid, 2-methylphenyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.151809184 u |
| Formula | C20H22O4 |
| InChI | InChI=1S/C20H22O4/c1-4-9-15(3)23-19(21)16-11-6-7-12-17(16)20(22)24-18-13-8-5-10-14(18)2/h5-8,10-13,15H,4,9H2,1-3H3 |
| InChIKey | RRSNBZVUVSSDDA-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC=CC=C1C)=O)C(OC(C)CCC)=O |