| SpectraBase Compound ID | 4XriRPTVGAy |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-4-7-9-13-17(6-3)25-21(23)19-15-11-10-14-18(19)20(22)24-16-12-8-5-2/h10-11,14-15,17H,4-9,12-13,16H2,1-3H3 |
| InChIKey | PRIMUJPRYVWBOQ-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AzmZbs1vI9c |
|---|---|
| Name | Phthalic acid, oct-3-yl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-4-7-9-13-17(6-3)25-21(23)19-15-11-10-14-18(19)20(22)24-16-12-8-5-2/h10-11,14-15,17H,4-9,12-13,16H2,1-3H3 |
| InChIKey | PRIMUJPRYVWBOQ-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C(C1=CC=CC=C1C(OC(CCCCC)CC)=O)(OCCCCC)=O |