| SpectraBase Compound ID | 9Bkw27T33BM |
|---|---|
| InChI | InChI=1S/C18H25NO6/c1-3-4-5-11-24-17(20)7-6-8-18(21)25-13-15-10-9-14(2)16(12-15)19(22)23/h9-10,12H,3-8,11,13H2,1-2H3 |
| InChIKey | SPDDQRQQSPKFTA-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 | 9RGqD4itlLn |
|---|---|
| Name | Glutaric acid, 4-methyl-3-nitrobenzyl 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/c1-3-4-5-11-24-17(20)7-6-8-18(21)25-13-15-10-9-14(2)16(12-15)19(22)23/h9-10,12H,3-8,11,13H2,1-2H3 |
| InChIKey | SPDDQRQQSPKFTA-UHFFFAOYSA-N |
| Molecular Weight | 351.399 g/mol |
| SMILES | C(OCC1=CC(=C(C=C1)C)N(=O)=O)(=O)CCCC(OCCCCC)=O |