| SpectraBase Compound ID | 4oKGjGfjICN |
|---|---|
| InChI | InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3 |
| InChIKey | QXKHYNVANLEOEG-UHFFFAOYSA-N |
| Mol Weight | 216.19 g/mol |
| Molecular Formula | C12H8O4 |
| Exact Mass | 216.042259 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6GSUD5VXEGK |
|---|---|
| Name | Xanthotoxin |
| Alternate Name(s) | 9-Methoxy-7H-furo[3,2-g]chromen-7-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H8O4 |
| InChI | InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3 |
| InChIKey | QXKHYNVANLEOEG-UHFFFAOYSA-N |
| Molecular Weight | 216.192 g/mol |
| SMILES | c12c(c3c(C=CC(O3)=O)cc1cco2)OC |
| SPLASH | splash10-014i-0390000000-a51c9ad7028154153aa7 |
| Source of Spectrum | QA-50-177-10 |
| Wiley ID | 1795725 |