| SpectraBase Compound ID | HxARPoK1xQR |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-2-3-13-18-24-20(22)16-11-6-4-5-7-12-17-21(23)25-19-14-9-8-10-15-19/h8-10,14-15H,2-7,11-13,16-18H2,1H3 |
| InChIKey | OHWZOVKDEZDABI-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | v3Hla8Noe |
|---|---|
| Name | Sebacic acid, pentyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-2-3-13-18-24-20(22)16-11-6-4-5-7-12-17-21(23)25-19-14-9-8-10-15-19/h8-10,14-15H,2-7,11-13,16-18H2,1H3 |
| InChIKey | OHWZOVKDEZDABI-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C(CCCCC(OC1=CC=CC=C1)=O)CCCC(OCCCCC)=O |