| SpectraBase Compound ID | 204jAL76o7c |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-4-11-22-17(19)15-7-5-6-8-16(15)18(20)23-13-10-14(2)9-12-21-3/h5-8,14H,4,9-13H2,1-3H3 |
| InChIKey | SRCGZJQLBCORKI-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 | GDz3nlFBMey |
|---|---|
| Name | Phthalic acid, 5-methoxy-3-methylpentyl 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/c1-4-11-22-17(19)15-7-5-6-8-16(15)18(20)23-13-10-14(2)9-12-21-3/h5-8,14H,4,9-13H2,1-3H3 |
| InChIKey | SRCGZJQLBCORKI-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C(CCOC(C1=C(C=CC=C1)C(OCCC)=O)=O)(CCOC)C |