| SpectraBase Compound ID | 7sWfKehcdn6 |
|---|---|
| InChI | InChI=1S/C18H11NO4/c1-21-10-2-3-11-12(7-10)17(20)16-14-9(4-5-19-16)6-13-18(15(11)14)23-8-22-13/h2-7H,8H2,1H3 |
| InChIKey | WLXLLQQGGGHOMA-UHFFFAOYSA-N |
| Mol Weight | 305.29 g/mol |
| Molecular Formula | C18H11NO4 |
| Exact Mass | 305.068808 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6iC4SdV4AnL |
|---|---|
| Name | Oxoxylopine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H11NO4 |
| InChI | InChI=1S/C18H11NO4/c1-21-10-2-3-11-12(7-10)17(20)16-14-9(4-5-19-16)6-13-18(15(11)14)23-8-22-13/h2-7H,8H2,1H3 |
| InChIKey | WLXLLQQGGGHOMA-UHFFFAOYSA-N |
| Molecular Weight | 305.289 g/mol |
| SMILES | c12-c3c(cc(cc3)OC)C(c3c1c(ccn3)cc1c2OCO1)=O |
| SPLASH | splash10-0a4i-0049000000-d5db71e57bb7badc2154 |
| Source of Spectrum | QA-44-315-4 |
| Wiley ID | 862475 |