| SpectraBase Compound ID | 9MxVLtKn321 |
|---|---|
| InChI | InChI=1S/C19H27NO6/c1-2-3-4-10-15-25-18(21)13-6-5-7-14-19(22)26-17-12-9-8-11-16(17)20(23)24/h8-9,11-12H,2-7,10,13-15H2,1H3 |
| InChIKey | GUCIRTDVTHEMKP-UHFFFAOYSA-N |
| Mol Weight | 365.43 g/mol |
| Molecular Formula | C19H27NO6 |
| Exact Mass | 365.183838 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EqL4EZlN2jB |
|---|---|
| Name | Pimelic acid, hexyl 2-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.183837587 u |
| Formula | C19H27NO6 |
| InChI | InChI=1S/C19H27NO6/c1-2-3-4-10-15-25-18(21)13-6-5-7-14-19(22)26-17-12-9-8-11-16(17)20(23)24/h8-9,11-12H,2-7,10,13-15H2,1H3 |
| InChIKey | GUCIRTDVTHEMKP-UHFFFAOYSA-N |
| Molecular Weight | 365.426 g/mol |
| SMILES | C(OC1=C(C=CC=C1)N(=O)=O)(=O)CCCCCC(OCCCCCC)=O |