| SpectraBase Compound ID | 4b3u51OQKIg |
|---|---|
| InChI | InChI=1S/C18H25NO6/c1-2-24-17(20)9-7-5-3-4-6-8-10-18(21)25-16-13-11-15(12-14-16)19(22)23/h11-14H,2-10H2,1H3 |
| InChIKey | UWKVWSYGJJAGLD-UHFFFAOYSA-N |
| Mol Weight | 351.4 g/mol |
| Molecular Formula | C18H25NO6 |
| Exact Mass | 351.168188 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EjXt4XjzQHu |
|---|---|
| Name | Sebacic acid, ethyl 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.168187523 u |
| Formula | C18H25NO6 |
| InChI | InChI=1S/C18H25NO6/c1-2-24-17(20)9-7-5-3-4-6-8-10-18(21)25-16-13-11-15(12-14-16)19(22)23/h11-14H,2-10H2,1H3 |
| InChIKey | UWKVWSYGJJAGLD-UHFFFAOYSA-N |
| Molecular Weight | 351.399 g/mol |
| SMILES | C(CCCCCCC(OC1=CC=C(C=C1)N(=O)=O)=O)CC(OCC)=O |