| SpectraBase Compound ID | LGjXzl5wJWg |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-2-12-21-17(19)15-10-6-7-11-16(15)18(20)22-13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3 |
| InChIKey | HNOJQCCTWMACFZ-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 | 2KbaRA1LMUL |
|---|---|
| Name | Phthalic acid, benzylpropyl 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/c1-2-12-21-17(19)15-10-6-7-11-16(15)18(20)22-13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3 |
| InChIKey | HNOJQCCTWMACFZ-UHFFFAOYSA-N |
| SMILES | C1=C(C(=CC=C1)C(=O)OCC1=CC=CC=C1)C(=O)OCCC |