| SpectraBase Compound ID | I3SBN97cjwn |
|---|---|
| InChI | InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-15-20-27-23(25)18-11-10-12-19-24(26)28-22-17-14-13-16-21(22)2/h13-14,16-17H,3-12,15,18-20H2,1-2H3 |
| InChIKey | UELFRTYPCCSFAF-UHFFFAOYSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C24H38O4 |
| Exact Mass | 390.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CWBTiSivdup |
|---|---|
| Name | Pimelic acid, decyl 2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.277009700 u |
| Formula | C24H38O4 |
| InChI | InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-15-20-27-23(25)18-11-10-12-19-24(26)28-22-17-14-13-16-21(22)2/h13-14,16-17H,3-12,15,18-20H2,1-2H3 |
| InChIKey | UELFRTYPCCSFAF-UHFFFAOYSA-N |
| Molecular Weight | 390.564 g/mol |
| SMILES | C(OC1=C(C=CC=C1)C)(=O)CCCCCC(OCCCCCCCCCC)=O |