| SpectraBase Compound ID | DelfiOtt4qm |
|---|---|
| InChI | InChI=1S/C17H14BrNO5/c1-22-15-5-3-10(9-16(15)23-2)17-13(19(20)21)8-11-7-12(18)4-6-14(11)24-17/h3-9,17H,1-2H3 |
| InChIKey | GJKMNKFTBQPVQP-UHFFFAOYSA-N |
| Mol Weight | 392.21 g/mol |
| Molecular Formula | C17H14BrNO5 |
| Exact Mass | 391.005536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ohesPB3d93 |
|---|---|
| Name | 6-Bromo-2-(3,4-dimethoxyphenyl)-3-nitro-2H-chromene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 391.005535550 u |
| Formula | C17H14BrNO5 |
| InChI | InChI=1S/C17H14BrNO5/c1-22-15-5-3-10(9-16(15)23-2)17-13(19(20)21)8-11-7-12(18)4-6-14(11)24-17/h3-9,17H,1-2H3 |
| InChIKey | GJKMNKFTBQPVQP-UHFFFAOYSA-N |
| Molecular Weight | 392.205 g/mol |
| SMILES | C=1(N(=O)=O)C(OC2=C(C1)C=C(C=C2)Br)C=1C=C(OC)C(=CC1)OC |