| SpectraBase Compound ID | Lx1coESmhWb |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-5-10-14(4)17(7-3)23-19(21)16-12-9-8-11-15(16)18(20)22-13-6-2/h8-9,11-12,14,17H,5-7,10,13H2,1-4H3 |
| InChIKey | PPWIJVIWOSFKSQ-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Gkum1HETW0 |
|---|---|
| Name | Phthalic acid, 4-methylhept-3-yl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-5-10-14(4)17(7-3)23-19(21)16-12-9-8-11-15(16)18(20)22-13-6-2/h8-9,11-12,14,17H,5-7,10,13H2,1-4H3 |
| InChIKey | PPWIJVIWOSFKSQ-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(C1=CC=CC=C1C(OC(CC)C(C)CCC)=O)(OCCC)=O |