| SpectraBase Compound ID | KI1Y9M04pkR |
|---|---|
| InChI | InChI=1S/C12H15N3O6/c1-3-7(2)11(12(16)17)13-9-5-4-8(14(18)19)6-10(9)15(20)21/h4-7,11,13H,3H2,1-2H3,(H,16,17) |
| InChIKey | PCZSORDQCDENOD-UHFFFAOYSA-N |
| Mol Weight | 297.27 g/mol |
| Molecular Formula | C12H15N3O6 |
| Exact Mass | 297.096085 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 | 9GMvEl2e8Hm |
|---|---|
| Name | L-Isoleucine, N-dinitrophenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.096085209 u |
| Formula | C12H15N3O6 |
| InChI | InChI=1S/C12H15N3O6/c1-3-7(2)11(12(16)17)13-9-5-4-8(14(18)19)6-10(9)15(20)21/h4-7,11,13H,3H2,1-2H3,(H,16,17) |
| InChIKey | PCZSORDQCDENOD-UHFFFAOYSA-N |
| Molecular Weight | 297.267 g/mol |
| SMILES | C1(=C(C=C(C=C1)N(=O)=O)N(=O)=O)NC(C(O)=O)C(CC)C |