| SpectraBase Compound ID | H24bqfkh62z |
|---|---|
| InChI | InChI=1S/C16H17BrO4/c1-11-9-16(19)21-14-10-12(6-7-13(11)14)20-15(18)5-3-2-4-8-17/h6-7,9-10H,2-5,8H2,1H3 |
| InChIKey | GOBOSYHGCIWUBV-UHFFFAOYSA-N |
| Mol Weight | 353.21 g/mol |
| Molecular Formula | C16H17BrO4 |
| Exact Mass | 352.031022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I4vn1UFAvto |
|---|---|
| Name | 7-(6-Bromohexanoyl)-4-methylcoumarin ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.031022023 u |
| Formula | C16H17BrO4 |
| InChI | InChI=1S/C16H17BrO4/c1-11-9-16(19)21-14-10-12(6-7-13(11)14)20-15(18)5-3-2-4-8-17/h6-7,9-10H,2-5,8H2,1H3 |
| InChIKey | GOBOSYHGCIWUBV-UHFFFAOYSA-N |
| Molecular Weight | 353.212 g/mol |
| SMILES | C1=2OC(=O)C=C(C2C=CC(=C1)OC(=O)CCCCCBr)C |