| SpectraBase Compound ID | J630EUZiJ3G |
|---|---|
| InChI | InChI=1S/C17H23NO6/c1-3-4-10-23-16(19)6-5-7-17(20)24-12-14-8-9-15(18(21)22)13(2)11-14/h8-9,11H,3-7,10,12H2,1-2H3 |
| InChIKey | NURDNDZDTSZLJI-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 | 7qCobBHHAaa |
|---|---|
| Name | Glutaric acid, butyl 3-methyl-4-nitrobenzyl 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/c1-3-4-10-23-16(19)6-5-7-17(20)24-12-14-8-9-15(18(21)22)13(2)11-14/h8-9,11H,3-7,10,12H2,1-2H3 |
| InChIKey | NURDNDZDTSZLJI-UHFFFAOYSA-N |
| Molecular Weight | 337.372 g/mol |
| SMILES | C(OCC1=CC=C(C(=C1)C)N(=O)=O)(=O)CCCC(OCCCC)=O |