| SpectraBase Compound ID | 7ymdJGp9vx1 |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-7-11-15(10-5-2)23-19(21)17-13-9-8-12-16(17)18(20)22-14-6-3/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3 |
| InChIKey | WDWBTAXVFVKIAD-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 | CTLZ8MdXtuN |
|---|---|
| Name | Phthalic acid, 4-octyl 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/c1-4-7-11-15(10-5-2)23-19(21)17-13-9-8-12-16(17)18(20)22-14-6-3/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3 |
| InChIKey | WDWBTAXVFVKIAD-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CCCOC(C1=C(C(OC(CCCC)CCC)=O)C=CC=C1)=O |