| SpectraBase Spectrum ID |
EzUthEmEUDt |
| Name |
2-Amino-3-methoxyestra-1,3,5(10)-trien-17.beta.-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.204179111 u |
| Formula |
C19H27NO2 |
| InChI |
InChI=1S/C19H27NO2/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,18,21H,3-8,20H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1 |
| InChIKey |
LLQYNNVCIMRHFL-SSTWWWIQSA-N |
| SMILES |
C=1(C(=CC2=C(C1)CC[C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])(O)[H])[H])[H])N)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809433 |
