| SpectraBase Compound ID | ByxLfyMwhKA |
|---|---|
| InChI | InChI=1S/C21H24O5/c1-2-3-9-14-25-20(22)18-12-7-8-13-19(18)21(23)26-16-15-24-17-10-5-4-6-11-17/h4-8,10-13H,2-3,9,14-16H2,1H3 |
| InChIKey | BCECSOFEJUFHAV-UHFFFAOYSA-N |
| Mol Weight | 356.42 g/mol |
| Molecular Formula | C21H24O5 |
| Exact Mass | 356.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9p1aQrGnaKg |
|---|---|
| Name | Phthalic acid, pentyl 2-phenoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.162373868 u |
| Formula | C21H24O5 |
| InChI | InChI=1S/C21H24O5/c1-2-3-9-14-25-20(22)18-12-7-8-13-19(18)21(23)26-16-15-24-17-10-5-4-6-11-17/h4-8,10-13H,2-3,9,14-16H2,1H3 |
| InChIKey | BCECSOFEJUFHAV-UHFFFAOYSA-N |
| Molecular Weight | 356.418 g/mol |
| SMILES | C(C1=CC=CC=C1C(=O)OCCOC1=CC=CC=C1)(OCCCCC)=O |