| SpectraBase Compound ID | Dv4Gt2UbAr5 |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-4-8-12(3)20-16(18)14-10-7-6-9-13(14)15(17)19-11-5-2/h6-7,9-10,12H,4-5,8,11H2,1-3H3 |
| InChIKey | HKPHFSRONKBHQZ-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1hhFzz9FSbQ |
|---|---|
| Name | Phthalic acid, 2-pentyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-4-8-12(3)20-16(18)14-10-7-6-9-13(14)15(17)19-11-5-2/h6-7,9-10,12H,4-5,8,11H2,1-3H3 |
| InChIKey | HKPHFSRONKBHQZ-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | CCCOC(C1=C(C=CC=C1)C(OC(CCC)C)=O)=O |