| SpectraBase Spectrum ID |
ExNTjcipXWU |
| Name |
5-Methyl-19-nor-5.beta.,9.beta.-pregnan-20-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.260965714 u |
| Formula |
C21H34O |
| InChI |
InChI=1S/C21H34O/c1-14(22)17-7-8-19-16-9-12-20(2)11-5-4-6-18(20)15(16)10-13-21(17,19)3/h15-19H,4-13H2,1-3H3/t15-,16-,17-,18-,19+,20+,21-/m1/s1 |
| InChIKey |
QKYIYCNAYGVNOW-YCEXZFRFSA-N |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@@]3(CC2)[H])(CCCC4)[H])C)[H])(CC[C@@]1(C(=O)C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941004 |
