| SpectraBase Compound ID | CVcwJdJpf3n |
|---|---|
| InChI | InChI=1S/C18H23NO3/c1-17-7-5-10(20)9-13(17)19-16(22)15-11-3-4-14(21)18(11,2)8-6-12(15)17/h9,11-12,15H,3-8H2,1-2H3,(H,19,22)/t11?,12?,15?,17-,18+/m1/s1 |
| InChIKey | QQUZTUZWPWSNJZ-PAXJDDOZSA-N |
| Mol Weight | 301.39 g/mol |
| Molecular Formula | C18H23NO3 |
| Exact Mass | 301.167794 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HB2ASOAD5kH |
|---|---|
| Name | 6-Azaandrost-4-ene-3,7,17-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.167793602 u |
| Formula | C18H23NO3 |
| InChI | InChI=1S/C18H23NO3/c1-17-7-5-10(20)9-13(17)19-16(22)15-11-3-4-14(21)18(11,2)8-6-12(15)17/h9,11-12,15H,3-8H2,1-2H3,(H,19,22)/t11?,12?,15?,17-,18+/m1/s1 |
| InChIKey | QQUZTUZWPWSNJZ-PAXJDDOZSA-N |
| SMILES | C=12[C@@](C3CC[C@]4(C(C3C(N2)=O)CCC4=O)C)(CCC(C1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935656 |