| SpectraBase Compound ID | JS3OLf3iZms |
|---|---|
| InChI | InChI=1S/C19H27NO6/c1-2-14-25-18(21)12-7-5-3-4-6-8-13-19(22)26-17-11-9-10-16(15-17)20(23)24/h9-11,15H,2-8,12-14H2,1H3 |
| InChIKey | PWMRZWHDPWMXMQ-UHFFFAOYSA-N |
| Mol Weight | 365.43 g/mol |
| Molecular Formula | C19H27NO6 |
| Exact Mass | 365.183838 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AjwH6rMQTJV |
|---|---|
| Name | Sebacic acid, 3-nitrophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.183837587 u |
| Formula | C19H27NO6 |
| InChI | InChI=1S/C19H27NO6/c1-2-14-25-18(21)12-7-5-3-4-6-8-13-19(22)26-17-11-9-10-16(15-17)20(23)24/h9-11,15H,2-8,12-14H2,1H3 |
| InChIKey | PWMRZWHDPWMXMQ-UHFFFAOYSA-N |
| Molecular Weight | 365.426 g/mol |
| SMILES | C(CCCCCC(OC1=CC=CC(=C1)N(=O)=O)=O)CCC(OCCC)=O |