| SpectraBase Compound ID | I6EeImQuIxI |
|---|---|
| InChI | InChI=1S/C18H25NO2/c1-17-9-4-3-5-13(17)19-16(21)15-11-6-7-14(20)18(11,2)10-8-12(15)17/h5,11-12,15H,3-4,6-10H2,1-2H3,(H,19,21)/t11-,12-,15-,17+,18-/m0/s1 |
| InChIKey | MBLSBYWPLOXHMJ-RODMYYSUSA-N |
| Mol Weight | 287.4 g/mol |
| Molecular Formula | C18H25NO2 |
| Exact Mass | 287.188529 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | eid3xmGg6G |
|---|---|
| Name | 6-Azaandrosta-4-ene-7,17-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.188529047 u |
| Formula | C18H25NO2 |
| InChI | InChI=1S/C18H25NO2/c1-17-9-4-3-5-13(17)19-16(21)15-11-6-7-14(20)18(11,2)10-8-12(15)17/h5,11-12,15H,3-4,6-10H2,1-2H3,(H,19,21)/t11-,12-,15-,17+,18-/m0/s1 |
| InChIKey | MBLSBYWPLOXHMJ-RODMYYSUSA-N |
| SMILES | C1([C@@]2([C@@](CC[C@]3([C@]2(CCC3=O)[H])C)([H])[C@@]2(C(N1)=CCCC2)C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978126 |