| SpectraBase Compound ID | KjlBxR5dwpv |
|---|---|
| InChI | InChI=1S/C17H23NO7/c1-3-4-10-24-16(19)6-5-7-17(20)25-12-13-8-9-15(23-2)14(11-13)18(21)22/h8-9,11H,3-7,10,12H2,1-2H3 |
| InChIKey | KXJHCLZQDBEQSC-UHFFFAOYSA-N |
| Mol Weight | 353.37 g/mol |
| Molecular Formula | C17H23NO7 |
| Exact Mass | 353.147452 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39ziLskoO7z |
|---|---|
| Name | Glutaric acid, butyl 3-nitro-4-methoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.147452078 u |
| Formula | C17H23NO7 |
| InChI | InChI=1S/C17H23NO7/c1-3-4-10-24-16(19)6-5-7-17(20)25-12-13-8-9-15(23-2)14(11-13)18(21)22/h8-9,11H,3-7,10,12H2,1-2H3 |
| InChIKey | KXJHCLZQDBEQSC-UHFFFAOYSA-N |
| Molecular Weight | 353.371 g/mol |
| SMILES | C(OCC1=CC=C(C(=C1)N(=O)=O)OC)(=O)CCCC(OCCCC)=O |