| SpectraBase Compound ID | A0rKx7lMyEP |
|---|---|
| InChI | InChI=1S/C17H24O5/c1-4-21-16(18)14-7-5-6-8-15(14)17(19)22-12-10-13(2)9-11-20-3/h5-8,13H,4,9-12H2,1-3H3 |
| InChIKey | ASNMMSGHWPNDIT-UHFFFAOYSA-N |
| Mol Weight | 308.37 g/mol |
| Molecular Formula | C17H24O5 |
| Exact Mass | 308.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8f85K2UOVxu |
|---|---|
| Name | Phthalic acid, ethyl 5-methoxy-3-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.162373868 u |
| Formula | C17H24O5 |
| InChI | InChI=1S/C17H24O5/c1-4-21-16(18)14-7-5-6-8-15(14)17(19)22-12-10-13(2)9-11-20-3/h5-8,13H,4,9-12H2,1-3H3 |
| InChIKey | ASNMMSGHWPNDIT-UHFFFAOYSA-N |
| SMILES | C(CCOC(C1=C(C(OCC)=O)C=CC=C1)=O)(CCOC)C |