| SpectraBase Spectrum ID |
BG4Nw51bL9B |
| Name |
17A-Methyl-3.beta.-methoxy-17A-aza-D-homoandrost-5-ene-17-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.251129305 u |
| Formula |
C21H33NO2 |
| InChI |
InChI=1S/C21H33NO2/c1-20-11-9-15(24-4)13-14(20)5-6-16-17(20)10-12-21(2)18(16)7-8-19(23)22(21)3/h5,15-18H,6-13H2,1-4H3 |
| InChIKey |
LHADKKFUVBRAPR-UHFFFAOYSA-N |
| Molecular Weight |
331.500 g/mol |
| SMILES |
C1(CCC2(C(C1)=CCC1C2CCC2(C1CCC(N2C)=O)C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877024 |
