| SpectraBase Compound ID | 8OBFYXueWD7 |
|---|---|
| InChI | InChI=1S/C16H21NO6/c1-2-3-11-22-15(18)9-6-10-16(19)23-12-13-7-4-5-8-14(13)17(20)21/h4-5,7-8H,2-3,6,9-12H2,1H3 |
| InChIKey | HTDLBDXTWVPDDN-UHFFFAOYSA-N |
| Mol Weight | 323.35 g/mol |
| Molecular Formula | C16H21NO6 |
| Exact Mass | 323.136887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KOvVPdzBFgy |
|---|---|
| Name | Glutaric acid, butyl 2-nitrobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.136887394 u |
| Formula | C16H21NO6 |
| InChI | InChI=1S/C16H21NO6/c1-2-3-11-22-15(18)9-6-10-16(19)23-12-13-7-4-5-8-14(13)17(20)21/h4-5,7-8H,2-3,6,9-12H2,1H3 |
| InChIKey | HTDLBDXTWVPDDN-UHFFFAOYSA-N |
| Molecular Weight | 323.345 g/mol |
| SMILES | C(OCC=1C=CC=CC1N(=O)=O)(=O)CCCC(OCCCC)=O |