| SpectraBase Compound ID | KUur9ULyCNS |
|---|---|
| InChI | InChI=1S/C17H23NO7/c1-13(2)12-25-17(20)5-3-4-16(19)24-11-10-23-15-8-6-14(7-9-15)18(21)22/h6-9,13H,3-5,10-12H2,1-2H3 |
| InChIKey | ILMMPEMFRRYAJI-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 | HPENbDfeSy3 |
|---|---|
| Name | Glutaric acid, isobutyl 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/c1-13(2)12-25-17(20)5-3-4-16(19)24-11-10-23-15-8-6-14(7-9-15)18(21)22/h6-9,13H,3-5,10-12H2,1-2H3 |
| InChIKey | ILMMPEMFRRYAJI-UHFFFAOYSA-N |
| Molecular Weight | 353.371 g/mol |
| SMILES | C(OCCOC1=CC=C(C=C1)N(=O)=O)(=O)CCCC(OCC(C)C)=O |