| SpectraBase Spectrum ID |
B1GtL3QrWSu |
| Name |
17α-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17β-ol |
| Source of Sample |
Sigma-Aldrich Company LLC |
| Catalog Number |
R188018 |
| CAS Registry Number |
72-33-3 |
| Cell Type |
Neat on gold post |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O2 |
| InChI |
InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1 |
| InChIKey |
IMSSROKUHAOUJS-MJCUULBUSA-N |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Source |
Nd:YAG |
| SMILES |
O[C@@]1([C@]2(CC[C@@]3(c4ccc(cc4CC[C@]3([C@@]2(CC1)[H])[H])OC)[H])C)C#C |
| Scans Performed |
1664 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
FT-Raman |
