| SpectraBase Compound ID | Jum4oQZxScw |
|---|---|
| InChI | InChI=1S/C17H23NO6/c1-4-15(12(2)3)24-17(20)7-5-6-16(19)23-14-10-8-13(9-11-14)18(21)22/h8-12,15H,4-7H2,1-3H3 |
| InChIKey | WQZSQZMUZKYHHM-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 | DZTIx5ZZ1OV |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-yl 4-nitrophenyl 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/c1-4-15(12(2)3)24-17(20)7-5-6-16(19)23-14-10-8-13(9-11-14)18(21)22/h8-12,15H,4-7H2,1-3H3 |
| InChIKey | WQZSQZMUZKYHHM-UHFFFAOYSA-N |
| Molecular Weight | 337.372 g/mol |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OC1=CC=C(C=C1)N(=O)=O)=O |