| SpectraBase Compound ID | HS011SgTfhg |
|---|---|
| InChI | InChI=1S/C16H21NO6/c1-2-3-6-12-22-15(18)10-7-11-16(19)23-14-9-5-4-8-13(14)17(20)21/h4-5,8-9H,2-3,6-7,10-12H2,1H3 |
| InChIKey | PVTHZIPEUWQFMQ-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 | 4oPB1td8Vaz |
|---|---|
| Name | Glutaric acid, 2-nitrophenyl pentyl 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/c1-2-3-6-12-22-15(18)10-7-11-16(19)23-14-9-5-4-8-13(14)17(20)21/h4-5,8-9H,2-3,6-7,10-12H2,1H3 |
| InChIKey | PVTHZIPEUWQFMQ-UHFFFAOYSA-N |
| Molecular Weight | 323.345 g/mol |
| SMILES | CCCCCOC(CCCC(OC1=CC=CC=C1N(=O)=O)=O)=O |