| SpectraBase Spectrum ID |
12WYj0aZTfT |
| Name |
dl-3-Methoxy-17A.beta.-ethyl-D-homoestra-1,3,5(10),8-tetraen-17A-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.224580204 u |
| Formula |
C22H30O2 |
| InChI |
InChI=1S/C22H30O2/c1-4-22(23)12-5-6-20-19-9-7-15-14-16(24-3)8-10-17(15)18(19)11-13-21(20,22)2/h8,10,14,20,23H,4-7,9,11-13H2,1-3H3 |
| InChIKey |
XHHHCXUOOAOKED-UHFFFAOYSA-N |
| Molecular Weight |
326.480 g/mol |
| SMILES |
C1(=CC=C2C(=C1)CCC1=C2CCC2(C1CCCC2(O)CC)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843802 |
