| SpectraBase Compound ID | DMKqUMpKSLj |
|---|---|
| InChI | InChI=1S/C17H23NO6/c1-2-3-11-23-16(19)8-5-9-17(20)24-12-10-14-6-4-7-15(13-14)18(21)22/h4,6-7,13H,2-3,5,8-12H2,1H3 |
| InChIKey | MPTBTYUFJWUXBB-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 | 4RLw3k685jS |
|---|---|
| Name | Glutaric acid, butyl 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/c1-2-3-11-23-16(19)8-5-9-17(20)24-12-10-14-6-4-7-15(13-14)18(21)22/h4,6-7,13H,2-3,5,8-12H2,1H3 |
| InChIKey | MPTBTYUFJWUXBB-UHFFFAOYSA-N |
| Molecular Weight | 337.372 g/mol |
| SMILES | C(OCCC1=CC=CC(=C1)N(=O)=O)(=O)CCCC(OCCCC)=O |