| SpectraBase Compound ID | FBjrfOO3wuD |
|---|---|
| InChI | InChI=1S/C33H50N2O/c1-22(35(6)7)26-18-20-33(5)28-15-14-27-24(21-25(28)17-19-32(26,33)4)13-16-29(31(27,2)3)34-30(36)23-11-9-8-10-12-23/h8-12,17,22,24,26-29H,13-16,18-21H2,1-7H3,(H,34,36)/t22?,24?,26-,27-,28-,29+,32-,33+/m1/s1 |
| InChIKey | GUMUPBSXTQNKBR-DEQCQZCNSA-N |
| Mol Weight | 490.8 g/mol |
| Molecular Formula | C33H50N2O |
| Exact Mass | 490.392314 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 35rRQhemjdN |
|---|---|
| Name | Buxabenzamidine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H50N2O |
| InChI | InChI=1S/C33H50N2O/c1-22(35(6)7)26-18-20-33(5)28-15-14-27-24(21-25(28)17-19-32(26,33)4)13-16-29(31(27,2)3)34-30(36)23-11-9-8-10-12-23/h8-12,17,22,24,26-29H,13-16,18-21H2,1-7H3,(H,34,36)/t22?,24?,26-,27-,28-,29+,32-,33+/m1/s1 |
| InChIKey | GUMUPBSXTQNKBR-DEQCQZCNSA-N |
| Molecular Weight | 490.776 g/mol |
| SMILES | N(C(=O)c1ccccc1)[C@@]1(C([C@@]2(CC[C@]3([C@]4([C@@]([C@@](C(N(C)C)C)(CC4)[H])(CC=C3CC2CC1)C)C)[H])[H])(C)C)[H] |
| SPLASH | splash10-00di-9000000000-27277d13c14ba41dba78 |
| Source of Spectrum | X2-50-87-1 |
| Wiley ID | 1602132 |