| SpectraBase Compound ID | 9yyIlU2L6uo |
|---|---|
| InChI | InChI=1S/C15H18N2O5/c1-2-22-15(19)12-7-9-16(10-8-12)14(18)11-3-5-13(6-4-11)17(20)21/h3-6,12H,2,7-10H2,1H3 |
| InChIKey | SFUOAIRNUIFKPE-UHFFFAOYSA-N |
| Mol Weight | 306.32 g/mol |
| Molecular Formula | C15H18N2O5 |
| Exact Mass | 306.121572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Kbq4HBvUS2E |
|---|---|
| Name | Isonipecotic acid, N-(4-nitrobenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.121571683 u |
| Formula | C15H18N2O5 |
| InChI | InChI=1S/C15H18N2O5/c1-2-22-15(19)12-7-9-16(10-8-12)14(18)11-3-5-13(6-4-11)17(20)21/h3-6,12H,2,7-10H2,1H3 |
| InChIKey | SFUOAIRNUIFKPE-UHFFFAOYSA-N |
| Molecular Weight | 306.318 g/mol |
| SMILES | C1(=CC=C(C(N2CCC(C(OCC)=O)CC2)=O)C=C1)N(=O)=O |