| SpectraBase Compound ID | EJnHeNJ9xqY |
|---|---|
| InChI | InChI=1S/C16H21NO6/c1-2-12-22-15(18)10-4-3-5-11-16(19)23-14-9-7-6-8-13(14)17(20)21/h6-9H,2-5,10-12H2,1H3 |
| InChIKey | MVQFTGWVTDCUEL-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 | CEZouGqz3mI |
|---|---|
| Name | Pimelic acid, 2-nitrophenyl propyl 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/c1-2-12-22-15(18)10-4-3-5-11-16(19)23-14-9-7-6-8-13(14)17(20)21/h6-9H,2-5,10-12H2,1H3 |
| InChIKey | MVQFTGWVTDCUEL-UHFFFAOYSA-N |
| Molecular Weight | 323.345 g/mol |
| SMILES | C(OC1=C(C=CC=C1)N(=O)=O)(=O)CCCCCC(OCCC)=O |