| SpectraBase Compound ID | HXyydiRNsLZ |
|---|---|
| InChI | InChI=1S/C18H25NO6/c1-2-3-6-13-24-17(20)10-7-11-18(21)25-14-12-15-8-4-5-9-16(15)19(22)23/h4-5,8-9H,2-3,6-7,10-14H2,1H3 |
| InChIKey | XMSCIEGZDPYQLV-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 | 1Gzx7KFYk6A |
|---|---|
| Name | Glutaric acid, 2-(2-nitrophenyl)ethyl pentyl 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/c1-2-3-6-13-24-17(20)10-7-11-18(21)25-14-12-15-8-4-5-9-16(15)19(22)23/h4-5,8-9H,2-3,6-7,10-14H2,1H3 |
| InChIKey | XMSCIEGZDPYQLV-UHFFFAOYSA-N |
| Molecular Weight | 351.399 g/mol |
| SMILES | C(OCCC1=C(C=CC=C1)N(=O)=O)(=O)CCCC(OCCCCC)=O |