| SpectraBase Compound ID | GMczgQTE0Hb |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-2-21-17(19)15-9-6-10-16(13-15)18(20)22-12-11-14-7-4-3-5-8-14/h6,9-10,13-14H,2-5,7-8,11-12H2,1H3 |
| InChIKey | KJWCULJNELDRMZ-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 | 4B5Hu4CNE51 |
|---|---|
| Name | Isophthalic acid, 2-cyclohexylethyl ethyl 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/c1-2-21-17(19)15-9-6-10-16(13-15)18(20)22-12-11-14-7-4-3-5-8-14/h6,9-10,13-14H,2-5,7-8,11-12H2,1H3 |
| InChIKey | KJWCULJNELDRMZ-UHFFFAOYSA-N |
| SMILES | C1CCC(CC1)CCOC(C1=CC(=CC=C1)C(OCC)=O)=O |