| SpectraBase Compound ID | 7TWW67mpzSB |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-3-5-6-7-10-13-23-18(20)16-11-8-9-12-17(16)19(21)24-15-14-22-4-2/h8-9,11-12H,3-7,10,13-15H2,1-2H3 |
| InChIKey | OREVCXWWIQSRMZ-UHFFFAOYSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C19H28O5 |
| Exact Mass | 336.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CcIWMtzvTmQ |
|---|---|
| Name | Phthalic acid, 2-ethoxyethyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.193673997 u |
| Formula | C19H28O5 |
| InChI | InChI=1S/C19H28O5/c1-3-5-6-7-10-13-23-18(20)16-11-8-9-12-17(16)19(21)24-15-14-22-4-2/h8-9,11-12H,3-7,10,13-15H2,1-2H3 |
| InChIKey | OREVCXWWIQSRMZ-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | C1(=C(C=CC=C1)C(=O)OCCOCC)C(OCCCCCCC)=O |