| SpectraBase Compound ID | 2qkaxyT43wY |
|---|---|
| InChI | InChI=1S/C17H23NO6/c1-13(2)12-23-16(19)10-4-3-5-11-17(20)24-15-9-7-6-8-14(15)18(21)22/h6-9,13H,3-5,10-12H2,1-2H3 |
| InChIKey | FVHAMDGYGLAOMH-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 | 3PSDkjBK6Li |
|---|---|
| Name | Pimelic acid, isobutyl 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/c1-13(2)12-23-16(19)10-4-3-5-11-17(20)24-15-9-7-6-8-14(15)18(21)22/h6-9,13H,3-5,10-12H2,1-2H3 |
| InChIKey | FVHAMDGYGLAOMH-UHFFFAOYSA-N |
| Molecular Weight | 337.372 g/mol |
| SMILES | C(OC1=C(C=CC=C1)N(=O)=O)(=O)CCCCCC(OCC(C)C)=O |