| SpectraBase Compound ID | C7Uv0RvpHYa |
|---|---|
| InChI | InChI=1S/C17H23NO6/c1-4-5-6-7-11-23-15(19)17(2,3)16(20)24-14-10-8-9-13(12-14)18(21)22/h8-10,12H,4-7,11H2,1-3H3 |
| InChIKey | URPZUYJUWXGQOY-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 | 4TRfI2Tq5Z7 |
|---|---|
| Name | Dimethylmalonic acid, hexyl 3-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/c1-4-5-6-7-11-23-15(19)17(2,3)16(20)24-14-10-8-9-13(12-14)18(21)22/h8-10,12H,4-7,11H2,1-3H3 |
| InChIKey | URPZUYJUWXGQOY-UHFFFAOYSA-N |
| Molecular Weight | 337.372 g/mol |
| SMILES | CCCCCCOC(C(C(OC1=CC(=CC=C1)N(=O)=O)=O)(C)C)=O |