| SpectraBase Compound ID | 3ooke4Qb7YZ |
|---|---|
| InChI | InChI=1S/C17H11BrO3/c18-13-9-14(19)12-7-4-8-15(16(12)17(13)20)21-10-11-5-2-1-3-6-11/h1-9H,10H2 |
| InChIKey | KZQNEZMJEDVBPL-UHFFFAOYSA-N |
| Mol Weight | 343.18 g/mol |
| Molecular Formula | C17H11BrO3 |
| Exact Mass | 341.989157 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JmlnvpHz1bx |
|---|---|
| Name | 3-Bromo-5-benzyloxy-1,4-naphthoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.989157211 u |
| Formula | C17H11BrO3 |
| InChI | InChI=1S/C17H11BrO3/c18-13-9-14(19)12-7-4-8-15(16(12)17(13)20)21-10-11-5-2-1-3-6-11/h1-9H,10H2 |
| InChIKey | KZQNEZMJEDVBPL-UHFFFAOYSA-N |
| Molecular Weight | 343.176 g/mol |
| SMILES | C1(C=C(C(C=2C(=CC=CC12)OCC=1C=CC=CC1)=O)Br)=O |