| SpectraBase Compound ID | A1bi64msNZ8 |
|---|---|
| InChI | InChI=1S/C17H23NO6/c1-13(2)12-24-17(20)8-4-7-16(19)23-10-9-14-5-3-6-15(11-14)18(21)22/h3,5-6,11,13H,4,7-10,12H2,1-2H3 |
| InChIKey | WFCJBMVHHRGJQK-UHFFFAOYSA-N |
| Mol Weight | 337.37 g/mol |
| Molecular Formula | C17H23NO6 |
| Exact Mass | 337.152537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DKvnBQbdUU0 |
|---|---|
| Name | Glutaric acid, isobutyl 3-nitrophenethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.152537459 u |
| Formula | C17H23NO6 |
| InChI | InChI=1S/C17H23NO6/c1-13(2)12-24-17(20)8-4-7-16(19)23-10-9-14-5-3-6-15(11-14)18(21)22/h3,5-6,11,13H,4,7-10,12H2,1-2H3 |
| InChIKey | WFCJBMVHHRGJQK-UHFFFAOYSA-N |
| Molecular Weight | 337.372 g/mol |
| SMILES | C(OCCC1=CC=CC(=C1)N(=O)=O)(=O)CCCC(OCC(C)C)=O |