| SpectraBase Compound ID | AYYqxKMyPz4 |
|---|---|
| InChI | InChI=1S/C16H13BrO4/c1-7-4-13(19)21-15-8(2)16-11(5-10(7)15)14(9(3)20-16)12(18)6-17/h4-5H,6H2,1-3H3 |
| InChIKey | HEVKQNQRRDHGTQ-UHFFFAOYSA-N |
| Mol Weight | 349.18 g/mol |
| Molecular Formula | C16H13BrO4 |
| Exact Mass | 347.999722 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GREnDk2SENY |
|---|---|
| Name | 4'-(Bromoacetyl)trioxsalen |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H13BrO4 |
| InChI | InChI=1S/C16H13BrO4/c1-7-4-13(19)21-15-8(2)16-11(5-10(7)15)14(9(3)20-16)12(18)6-17/h4-5H,6H2,1-3H3 |
| InChIKey | HEVKQNQRRDHGTQ-UHFFFAOYSA-N |
| Molecular Weight | 349.180 g/mol |
| SMILES | c12c(c(C(=O)CBr)c(o2)C)cc2C(=CC(Oc2c1C)=O)C |
| SPLASH | splash10-0zmn-0098000000-40587e7535fa0f9b1736 |
| Source of Spectrum | F4-40-3438-20 |
| Wiley ID | 1671179 |