| SpectraBase Compound ID | 7tSeU7SMayx |
|---|---|
| InChI | InChI=1S/C11H4O5/c12-7-2-1-5-8(13)9(14)11-6(3-4-15-11)10(5)16-7/h1-4H |
| InChIKey | RSBLKOCQQVHVKO-UHFFFAOYSA-N |
| Mol Weight | 216.15 g/mol |
| Molecular Formula | C11H4O5 |
| Exact Mass | 216.005873 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FHqwBSUOEr5 |
|---|---|
| Name | Isopsoralenquinone |
| CAS Registry Number | 115591-58-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H4O5 |
| InChI | InChI=1S/C11H4O5/c12-7-2-1-5-8(13)9(14)11-6(3-4-15-11)10(5)16-7/h1-4H |
| InChIKey | RSBLKOCQQVHVKO-UHFFFAOYSA-N |
| Molecular Weight | 216.148 g/mol |
| SMILES | C12=C(C(C(=O)c3c2cco3)=O)C=CC(O1)=O |
| SPLASH | splash10-0i09-2920000000-cb41fd814a966820aa89 |
| Source of Spectrum | J-53-4171-16 |
| Wiley ID | 1215243 |