| SpectraBase Compound ID | BVruE3PjjmZ |
|---|---|
| InChI | InChI=1S/C11H16N2O5/c1-12-10-3-2-9(13(15)16)8-11(10)18-7-6-17-5-4-14/h2-3,8,12,14H,4-7H2,1H3 |
| InChIKey | XMYXQSNBLGIHOF-UHFFFAOYSA-N |
| Mol Weight | 256.26 g/mol |
| Molecular Formula | C11H16N2O5 |
| Exact Mass | 256.105922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JBuP4zx1lnx |
|---|---|
| Name | 1-(N-Methylamino)-2-( 6'-hydroxy-1',4'-dioxahexyl)-4-nitrobenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.105921618 u |
| Formula | C11H16N2O5 |
| InChI | InChI=1S/C11H16N2O5/c1-12-10-3-2-9(13(15)16)8-11(10)18-7-6-17-5-4-14/h2-3,8,12,14H,4-7H2,1H3 |
| InChIKey | XMYXQSNBLGIHOF-UHFFFAOYSA-N |
| SMILES | C=1(N(=O)=O)C=C(OCCOCCO)C(=CC1)NC |