| SpectraBase Compound ID | 1bo6NmQjhtT |
|---|---|
| InChI | InChI=1S/C16H21NO6/c1-4-5-6-10-22-14(18)16(2,3)15(19)23-13-9-7-8-12(11-13)17(20)21/h7-9,11H,4-6,10H2,1-3H3 |
| InChIKey | CMUCCAQMIATCQH-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 | 863Qtq5egvb |
|---|---|
| Name | Dimethylmalonic acid, 3-nitrophenyl pentyl 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/c1-4-5-6-10-22-14(18)16(2,3)15(19)23-13-9-7-8-12(11-13)17(20)21/h7-9,11H,4-6,10H2,1-3H3 |
| InChIKey | CMUCCAQMIATCQH-UHFFFAOYSA-N |
| Molecular Weight | 323.345 g/mol |
| SMILES | CCCCCOC(C(C(OC1=CC(=CC=C1)N(=O)=O)=O)(C)C)=O |