| SpectraBase Compound ID | Dcqbv74S1eZ |
|---|---|
| InChI | InChI=1S/C30H51N3O2/c1-5-6-20-33(28(35)31-21-10-8-7-9-11-21)26-15-13-23-22-12-14-25-29(2,19-17-27(34)32(25)4)24(22)16-18-30(23,26)3/h21-26H,5-20H2,1-4H3,(H,31,35)/t22?,23?,24?,25-,26+,29-,30+/m1/s1 |
| InChIKey | UFFWMBXTSWAXGX-PUYIEOMBSA-N |
| Mol Weight | 485.8 g/mol |
| Molecular Formula | C30H51N3O2 |
| Exact Mass | 485.398128 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 33EZ9ApQ9ND |
|---|---|
| Name | 17.beta.-(Ureylene-N-butyl-N'-cyclohexyl)-4-methyl-4-aza-5-alpha.-androstan-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 485.398127892 u |
| Formula | C30H51N3O2 |
| InChI | InChI=1S/C30H51N3O2/c1-5-6-20-33(28(35)31-21-10-8-7-9-11-21)26-15-13-23-22-12-14-25-29(2,19-17-27(34)32(25)4)24(22)16-18-30(23,26)3/h21-26H,5-20H2,1-4H3,(H,31,35)/t22?,23?,24?,25-,26+,29-,30+/m1/s1 |
| InChIKey | UFFWMBXTSWAXGX-PUYIEOMBSA-N |
| Molecular Weight | 485.757 g/mol |
| SMILES | [C@@]12([C@](N(C(=O)CC2)C)(CCC2C3CC[C@@]([C@]3(CCC12)C)(N(C(NC1CCCCC1)=O)CCCC)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.836047 |