| SpectraBase Compound ID | 9i0IbmMST5t |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-2-3-15-24-20(22)18-13-7-8-14-19(18)21(23)25-16-9-12-17-10-5-4-6-11-17/h4-8,10-11,13-14H,2-3,9,12,15-16H2,1H3 |
| InChIKey | YCYOVUPUKMMRSJ-UHFFFAOYSA-N |
| Mol Weight | 340.42 g/mol |
| Molecular Formula | C21H24O4 |
| Exact Mass | 340.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CNomJxjC7Vx |
|---|---|
| Name | Phthalic acid, butyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.167459249 u |
| Formula | C21H24O4 |
| InChI | InChI=1S/C21H24O4/c1-2-3-15-24-20(22)18-13-7-8-14-19(18)21(23)25-16-9-12-17-10-5-4-6-11-17/h4-8,10-11,13-14H,2-3,9,12,15-16H2,1H3 |
| InChIKey | YCYOVUPUKMMRSJ-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C1=C(C(C(OCCCC2=CC=CC=C2)=O)=CC=C1)C(=O)OCCCC |