| SpectraBase Compound ID | 3EJ3P5bpGa1 |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-3-12-21-17(19)15-10-6-7-11-16(15)18(20)22-13(2)14-8-4-5-9-14/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3 |
| InChIKey | JUEQQXQZIODYIK-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 | 1ahzhAIicQR |
|---|---|
| Name | Phthalic 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)15-10-6-7-11-16(15)18(20)22-13(2)14-8-4-5-9-14/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3 |
| InChIKey | JUEQQXQZIODYIK-UHFFFAOYSA-N |
| SMILES | C1CCCC1C(OC(=O)C1=CC=CC=C1C(OCCC)=O)C |