| SpectraBase Compound ID | AANwr7RjN3a |
|---|---|
| InChI | InChI=1S/C26H26ClN3/c1-2-19-17-30-14-12-20(19)15-25(30)26(29-16-18-7-9-21(27)10-8-18)23-11-13-28-24-6-4-3-5-22(23)24/h2-11,13,16,19-20,25-26H,1,12,14-15,17H2/b29-16+/t19?,20?,25-,26-/m1/s1 |
| InChIKey | UDXBTNMUICHTBS-JPSXWFJZSA-N |
| Mol Weight | 415.97 g/mol |
| Molecular Formula | C26H26ClN3 |
| Exact Mass | 415.181526 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7Rf68mu0Sd3 |
|---|---|
| Name | N-(9'-Deoxyepicicnchonin-9'-yl)(4"-chlorophenyl)methanamine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H26ClN3 |
| InChI | InChI=1S/C26H26ClN3/c1-2-19-17-30-14-12-20(19)15-25(30)26(29-16-18-7-9-21(27)10-8-18)23-11-13-28-24-6-4-3-5-22(23)24/h2-11,13,16,19-20,25-26H,1,12,14-15,17H2/b29-16+/t19?,20?,25-,26-/m1/s1 |
| InChIKey | UDXBTNMUICHTBS-JPSXWFJZSA-N |
| Molecular Weight | 415.968 g/mol |
| SMILES | [C@@]1(N2CCC(C1)C(C2)C=C)([C@](\N=C\c1ccc(cc1)Cl)(c1c2c(ncc1)cccc2)[H])[H] |
| SPLASH | splash10-00or-1950000000-205b4cd6233abb4c527b |
| Source of Spectrum | AN-106-83-16 |
| Wiley ID | 747641 |