![Benzene, 1-[2-(1,1-dimethylethyl)phenoxy]-2,4-dinitro-](/api/spectrum/GF1qUDQO4Yj/structure.png?h=300&w=458 "Benzene, 1-[2-(1,1-dimethylethyl)phenoxy]-2,4-dinitro-")
| SpectraBase Compound ID | 8tXAh20d3vy |
|---|---|
| InChI | InChI=1S/C16H16N2O5/c1-16(2,3)12-6-4-5-7-14(12)23-15-9-8-11(17(19)20)10-13(15)18(21)22/h4-10H,1-3H3 |
| InChIKey | ICTBPAKKMQFGEG-UHFFFAOYSA-N |
| Mol Weight | 316.31 g/mol |
| Molecular Formula | C16H16N2O5 |
| Exact Mass | 316.105922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GF1qUDQO4Yj |
|---|---|
| Name | Benzene, 1-[2-(1,1-dimethylethyl)phenoxy]-2,4-dinitro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.105921618 u |
| Formula | C16H16N2O5 |
| InChI | InChI=1S/C16H16N2O5/c1-16(2,3)12-6-4-5-7-14(12)23-15-9-8-11(17(19)20)10-13(15)18(21)22/h4-10H,1-3H3 |
| InChIKey | ICTBPAKKMQFGEG-UHFFFAOYSA-N |
| Molecular Weight | 316.313 g/mol |
| SMILES | C(C)(C)(C)C1=C(OC2=C(N(=O)=O)C=C(C=C2)N(=O)=O)C=CC=C1 |