| SpectraBase Compound ID | 5UDALc5ABE4 |
|---|---|
| InChI | InChI=1S/C17H19BrO3/c1-2-3-4-5-6-8-12-15(18)17(21)11-9-7-10-13(19)14(11)16(12)20/h7,9-10,19H,2-6,8H2,1H3 |
| InChIKey | MEBRCRWMBFUEDT-UHFFFAOYSA-N |
| Mol Weight | 351.24 g/mol |
| Molecular Formula | C17H19BrO3 |
| Exact Mass | 350.051757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3dODcujUqLm |
|---|---|
| Name | 2-Bromo-3-heptyl-5-hydroxynaphthoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.051757469 u |
| Formula | C17H19BrO3 |
| InChI | InChI=1S/C17H19BrO3/c1-2-3-4-5-6-8-12-15(18)17(21)11-9-7-10-13(19)14(11)16(12)20/h7,9-10,19H,2-6,8H2,1H3 |
| InChIKey | MEBRCRWMBFUEDT-UHFFFAOYSA-N |
| Molecular Weight | 351.240 g/mol |
| SMILES | OC=1C=2C(C(=C(C(C2C=CC1)=O)Br)CCCCCCC)=O |