| SpectraBase Compound ID | BmnZYihqhQe |
|---|---|
| InChI | InChI=1S/C17H23NO7/c1-2-3-11-24-16(19)5-4-6-17(20)25-13-12-23-15-9-7-14(8-10-15)18(21)22/h7-10H,2-6,11-13H2,1H3 |
| InChIKey | ASJQVIVFNZZUCC-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 | EPtB3MWEiKs |
|---|---|
| Name | Glutaric acid, butyl 2-(4-nitrophenoxy)ethyl 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/c1-2-3-11-24-16(19)5-4-6-17(20)25-13-12-23-15-9-7-14(8-10-15)18(21)22/h7-10H,2-6,11-13H2,1H3 |
| InChIKey | ASJQVIVFNZZUCC-UHFFFAOYSA-N |
| Molecular Weight | 353.371 g/mol |
| SMILES | C(OCCOC1=CC=C(C=C1)N(=O)=O)(=O)CCCC(OCCCC)=O |