| SpectraBase Compound ID | D47xMMyqjk3 |
|---|---|
| InChI | InChI=1S/C13H12O5/c1-7-12(17-8(2)14)10-5-4-9(16-3)6-11(10)18-13(7)15/h4-6H,1-3H3 |
| InChIKey | LQVKPXGBCILWSQ-UHFFFAOYSA-N |
| Mol Weight | 248.23 g/mol |
| Molecular Formula | C13H12O5 |
| Exact Mass | 248.068473 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DCE5VV7hmfP |
|---|---|
| Name | 4-Acetoxy-7-methoxy-3-methylcoumarin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H12O5 |
| InChI | InChI=1S/C13H12O5/c1-7-12(17-8(2)14)10-5-4-9(16-3)6-11(10)18-13(7)15/h4-6H,1-3H3 |
| InChIKey | LQVKPXGBCILWSQ-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 248.234 g/mol |
| SMILES | COc1ccc2c(c1)OC(C(=C2OC(C)=O)C)=O |
| SPLASH | splash10-0zfu-9850000000-698235607c8eab3bf9a6 |
| Source of Spectrum | SRH-2022-1160-0 |
| Wiley ID | 1823628 |