| SpectraBase Compound ID | 4lHyRUufvj9 |
|---|---|
| InChI | InChI=1S/C14H10BrNO4/c15-12-5-1-10(2-6-12)9-20-14(17)11-3-7-13(8-4-11)16(18)19/h1-8H,9H2 |
| InChIKey | AHKHWSYPMKYMGL-UHFFFAOYSA-N |
| Mol Weight | 336.14 g/mol |
| Molecular Formula | C14H10BrNO4 |
| Exact Mass | 334.979321 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GaEFlbiQ2Dd |
|---|---|
| Name | (4-Bromophenyl)methyl 4-nitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.979320802 u |
| Formula | C14H10BrNO4 |
| InChI | InChI=1S/C14H10BrNO4/c15-12-5-1-10(2-6-12)9-20-14(17)11-3-7-13(8-4-11)16(18)19/h1-8H,9H2 |
| InChIKey | AHKHWSYPMKYMGL-UHFFFAOYSA-N |
| Molecular Weight | 336.141 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(C(OCC=2C=CC(=CC2)Br)=O)C=C1 |