| SpectraBase Compound ID | 91u6yUdq1OR |
|---|---|
| InChI | InChI=1S/C31H45N3O2/c1-7-23(6)30(35)33-17-9-8-10-28(33)29-32-27(24-14-11-21(4)12-15-24)19-34(29)31(36)26-18-22(5)13-16-25(26)20(2)3/h11-12,14-15,19-20,22-23,25-26,28H,7-10,13,16-18H2,1-6H3/t22-,23?,25+,26-,28?/m1/s1 |
| InChIKey | XDVMKIXKTGXAFS-JPUHQZRQSA-N |
| Mol Weight | 491.7 g/mol |
| Molecular Formula | C31H45N3O2 |
| Exact Mass | 491.351178 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 | B0ZZ6qeJEil |
|---|---|
| Name | 1-(2-(1-((1R,2S,5R)-2-isopropyl-5-methylcyclohexane-1-carbonyl)-4-(p-tolyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-methylbutan-1-one |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H45N3O2 |
| InChI | InChI=1S/C31H45N3O2/c1-7-23(6)30(35)33-17-9-8-10-28(33)29-32-27(24-14-11-21(4)12-15-24)19-34(29)31(36)26-18-22(5)13-16-25(26)20(2)3/h11-12,14-15,19-20,22-23,25-26,28H,7-10,13,16-18H2,1-6H3/t22-,23?,25+,26-,28?/m1/s1 |
| InChIKey | XDVMKIXKTGXAFS-JPUHQZRQSA-N |
| Instrument Name | GCMS |
| Ionization Type | EI |
| Molecular Weight | 491.720 g/mol |
| Quality | 101 |
| SMILES | C(C)(C)[C@]1([C@@](C[C@@](CC1)(C)[H])(C(=O)N1C(=NC(=C1)C1=CC=C(C=C1)C)C1N(CCCC1)C(C(CC)C)=O)[H])[H] |
| SPLASH | splash10-000f-1890000000-4ce2a411b189b0a8ccc9 |
| Source of Spectrum | WO2022171653A1 |
| Wiley ID | 1892726 |