| SpectraBase Compound ID | HC3Bu52tUBG |
|---|---|
| InChI | InChI=1S/C14H11NO5/c16-7-9-5-13-14(20-8-19-13)6-11(9)10-3-1-2-4-12(10)15(17)18/h1-6,16H,7-8H2 |
| InChIKey | AIALWSNWGJYWRU-UHFFFAOYSA-N |
| Mol Weight | 273.24 g/mol |
| Molecular Formula | C14H11NO5 |
| Exact Mass | 273.063722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fl4uOTousOv |
|---|---|
| Name | 1-Hydroxymethyl-3,4-methylenedioxy-2'-nitro-biphenyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.063722453 u |
| Formula | C14H11NO5 |
| InChI | InChI=1S/C14H11NO5/c16-7-9-5-13-14(20-8-19-13)6-11(9)10-3-1-2-4-12(10)15(17)18/h1-6,16H,7-8H2 |
| InChIKey | AIALWSNWGJYWRU-UHFFFAOYSA-N |
| Molecular Weight | 273.244 g/mol |
| SMILES | C1(=CC2=C(C=C1C1=C(C=CC=C1)N(=O)=O)OCO2)CO |