| SpectraBase Compound ID | 2yftV2K36FW |
|---|---|
| InChI | InChI=1S/C11H14N2O5/c1-3-4-7(2)9-5-8(12(15)16)6-10(11(9)14)13(17)18/h5-7,14H,3-4H2,1-2H3 |
| InChIKey | PSOZMUMWCXLRKX-UHFFFAOYSA-N |
| Mol Weight | 254.24 g/mol |
| Molecular Formula | C11H14N2O5 |
| Exact Mass | 254.090272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8G1DUqaiIGg |
|---|---|
| Name | Phenol, 2-(1-methylbutyl)-4,6-dinitro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.090271554 u |
| Formula | C11H14N2O5 |
| InChI | InChI=1S/C11H14N2O5/c1-3-4-7(2)9-5-8(12(15)16)6-10(11(9)14)13(17)18/h5-7,14H,3-4H2,1-2H3 |
| InChIKey | PSOZMUMWCXLRKX-UHFFFAOYSA-N |
| Molecular Weight | 254.242 g/mol |
| SMILES | C(C(C)C1=C(O)C(N(=O)=O)=CC(=C1)N(=O)=O)CC |