![5-bromanyl-6-[[(E)-3-nitroprop-2-enoxy]methyl]-1,3-benzodioxole](/api/spectrum/GVBpGVVcWqx/structure.png?h=300&w=458 "5-bromanyl-6-[[(E)-3-nitroprop-2-enoxy]methyl]-1,3-benzodioxole")
| SpectraBase Compound ID | XilJBhTenf |
|---|---|
| InChI | InChI=1S/C11H10BrNO5/c12-9-5-11-10(17-7-18-11)4-8(9)6-16-3-1-2-13(14)15/h1-2,4-5H,3,6-7H2/b2-1+ |
| InChIKey | MLFRYNXYNRRLRL-OWOJBTEDSA-N |
| Mol Weight | 316.11 g/mol |
| Molecular Formula | C11H10BrNO5 |
| Exact Mass | 314.974235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GVBpGVVcWqx |
|---|---|
| Name | 5-Bromanyl-6-[[(E)-3-nitroprop-2-enoxy]methyl]-1,3-benzodioxole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.974235421 u |
| Formula | C11H10BrNO5 |
| InChI | InChI=1S/C11H10BrNO5/c12-9-5-11-10(17-7-18-11)4-8(9)6-16-3-1-2-13(14)15/h1-2,4-5H,3,6-7H2/b2-1+ |
| InChIKey | MLFRYNXYNRRLRL-OWOJBTEDSA-N |
| Molecular Weight | 316.107 g/mol |
| SMILES | C(\C=C\N(=O)=O)OCC=1C(=CC2=C(C1)OCO2)Br |