| SpectraBase Compound ID | F9S8pmY2kAM |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-2-11-21-17(19)15-9-6-10-16(12-15)18(20)22-13-14-7-4-3-5-8-14/h6,9-10,12,14H,2-5,7-8,11,13H2,1H3 |
| InChIKey | TZZRPBFNJJPQCN-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 | KbGngOukNGn |
|---|---|
| Name | Isophthalic acid, cyclohexylmethyl 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/c1-2-11-21-17(19)15-9-6-10-16(12-15)18(20)22-13-14-7-4-3-5-8-14/h6,9-10,12,14H,2-5,7-8,11,13H2,1H3 |
| InChIKey | TZZRPBFNJJPQCN-UHFFFAOYSA-N |
| SMILES | C1(CCCCC1)COC(C1=CC(C(OCCC)=O)=CC=C1)=O |