| SpectraBase Compound ID | AtWU7EZ4Lu0 |
|---|---|
| InChI | InChI=1S/C16H20N2O/c1-9(2)16(19)15-11-5-4-6-12-14(11)10(8-18-12)7-13(15)17-3/h4-6,8,13,15-19H,1,7H2,2-3H3/t13-,15+,16+/m1/s1 |
| InChIKey | RYJKMWDFKMAASW-KBMXLJTQSA-N |
| Mol Weight | 256.35 g/mol |
| Molecular Formula | C16H20N2O |
| Exact Mass | 256.157563 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LjEvVOoiQBE |
|---|---|
| Name | Paliclavine |
| CAS Registry Number | 52052-66-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H20N2O |
| InChI | InChI=1S/C16H20N2O/c1-9(2)16(19)15-11-5-4-6-12-14(11)10(8-18-12)7-13(15)17-3/h4-6,8,13,15-19H,1,7H2,2-3H3/t13-,15+,16+/m1/s1 |
| InChIKey | RYJKMWDFKMAASW-KBMXLJTQSA-N |
| Molecular Weight | 256.349 g/mol |
| SMILES | [nH]1c2cccc3c2c(C[C@]([C@]3([C@](C(=C)C)(O)[H])[H])(NC)[H])c1 |
| SPLASH | splash10-0zfr-0900000000-c27d689b33af8dbe4eed |
| Source of Spectrum | KO-9-164-1 |
| Wiley ID | 1260126 |