| SpectraBase Compound ID | KoqCluStMpl |
|---|---|
| InChI | InChI=1S/C18H13NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-9H,10H2,1H3 |
| InChIKey | IUYZHDCNLKFGIU-UHFFFAOYSA-N |
| Mol Weight | 275.31 g/mol |
| Molecular Formula | C18H13NO2 |
| Exact Mass | 275.094629 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2DUw4TspV8C |
|---|---|
| Name | Tetradehydro-roemerine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H13NO2 |
| InChI | InChI=1S/C18H13NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-9H,10H2,1H3 |
| InChIKey | IUYZHDCNLKFGIU-UHFFFAOYSA-N |
| Molecular Weight | 275.307 g/mol |
| SMILES | c12c3N(C)C=Cc2cc2OCOc2c1c1c(cccc1)c3 |
| SPLASH | splash10-004i-0190000000-b0d21d6e32feef060b15 |
| Source of Spectrum | X2-51-397-152 |
| Wiley ID | 1602623 |