| SpectraBase Compound ID | 8Khd5NPpFpX |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-5-11-22-17(19)15-8-6-7-9-16(15)18(20)23-14(3)13(2)10-12-21-4/h6-9,13-14H,5,10-12H2,1-4H3 |
| InChIKey | CXEIXVXMRJXNID-UHFFFAOYSA-N |
| Mol Weight | 322.4 g/mol |
| Molecular Formula | C18H26O5 |
| Exact Mass | 322.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 12jQ2YIh5h |
|---|---|
| Name | Phthalic acid, 5-methoxy-3-methylpent-2-yl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.178023932 u |
| Formula | C18H26O5 |
| InChI | InChI=1S/C18H26O5/c1-5-11-22-17(19)15-8-6-7-9-16(15)18(20)23-14(3)13(2)10-12-21-4/h6-9,13-14H,5,10-12H2,1-4H3 |
| InChIKey | CXEIXVXMRJXNID-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C(C1=C(C=CC=C1)C(OC(C)C(CCOC)C)=O)(OCCC)=O |