| SpectraBase Compound ID | Dw59u6lm0Lq |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-3-12-21-17(19)15-8-10-16(11-9-15)18(20)22-13(2)14-6-4-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3 |
| InChIKey | JQRAVNLLDBJHNV-UHFFFAOYSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LWwzCUVlYOs |
|---|---|
| Name | Terephthalic acid, 1-cyclopentylethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c1-3-12-21-17(19)15-8-10-16(11-9-15)18(20)22-13(2)14-6-4-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3 |
| InChIKey | JQRAVNLLDBJHNV-UHFFFAOYSA-N |
| SMILES | CCCOC(C1=CC=C(C=C1)C(OC(C1CCCC1)C)=O)=O |