| SpectraBase Compound ID | 3XVwbyKJ7u0 |
|---|---|
| InChI | InChI=1S/C17H23NO6/c1-2-3-13-23-16(19)11-5-4-6-12-17(20)24-15-10-8-7-9-14(15)18(21)22/h7-10H,2-6,11-13H2,1H3 |
| InChIKey | XONQJJINSZLYFP-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 | BEodQMFzRqZ |
|---|---|
| Name | Pimelic acid, butyl 2-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/c1-2-3-13-23-16(19)11-5-4-6-12-17(20)24-15-10-8-7-9-14(15)18(21)22/h7-10H,2-6,11-13H2,1H3 |
| InChIKey | XONQJJINSZLYFP-UHFFFAOYSA-N |
| Molecular Weight | 337.372 g/mol |
| SMILES | C(OC1=C(C=CC=C1)N(=O)=O)(=O)CCCCCC(OCCCC)=O |