| SpectraBase Compound ID | FrpSZZa0vef |
|---|---|
| InChI | InChI=1S/C17H23NO6/c1-12(2)7-6-10-23-15(19)17(3,4)16(20)24-14-9-5-8-13(11-14)18(21)22/h5,8-9,11-12H,6-7,10H2,1-4H3 |
| InChIKey | HYWDVPWPSIZJOK-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 | 2FBXVDPxTIH |
|---|---|
| Name | Dimethylmalonic acid, isohexyl 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/c1-12(2)7-6-10-23-15(19)17(3,4)16(20)24-14-9-5-8-13(11-14)18(21)22/h5,8-9,11-12H,6-7,10H2,1-4H3 |
| InChIKey | HYWDVPWPSIZJOK-UHFFFAOYSA-N |
| Molecular Weight | 337.372 g/mol |
| SMILES | CC(C)CCCOC(C(C(OC1=CC(=CC=C1)N(=O)=O)=O)(C)C)=O |