| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AOGJyoulO7O |
|---|---|
| Name | Xanthotoxin |
| CAS Registry Number | 298-81-7 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 |
| Instrument Name | Bruker WH-90 |
| Literature Reference | M. Elgamal, N. Elewa, Phytochem. 18, 139 (1979). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |