| SpectraBase Compound ID | F4F0Snnb6Cz |
|---|---|
| InChI | InChI=1S/C13H14N2O4/c1-8(2)6-7-14-12(16)9-4-3-5-10(15(18)19)11(9)13(14)17/h3-5,8H,6-7H2,1-2H3 |
| InChIKey | DTPUJITUJCLNIS-UHFFFAOYSA-N |
| Mol Weight | 262.26 g/mol |
| Molecular Formula | C13H14N2O4 |
| Exact Mass | 262.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AKP5BpxIR0d |
|---|---|
| Name | 1H-Isoindole-1,3(2H)-dione, 2-(3-methylbutyl)-4-nitro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.095356935 u |
| Formula | C13H14N2O4 |
| InChI | InChI=1S/C13H14N2O4/c1-8(2)6-7-14-12(16)9-4-3-5-10(15(18)19)11(9)13(14)17/h3-5,8H,6-7H2,1-2H3 |
| InChIKey | DTPUJITUJCLNIS-UHFFFAOYSA-N |
| SMILES | CC(C)CCN1C(C2=C(N(=O)=O)C=CC=C2C1=O)=O |