| SpectraBase Spectrum ID |
HpHic2BniqB |
| Name |
Ethynyl estradiol |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
10006486 |
| Lot Number |
0461547-10 |
| CAS Registry Number |
57-63-6 |
| Cell Type |
NMR tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H24O2 |
| IUPAC Name |
19-Norpregna-1,3,5(10)-trien-20-yne-3,17α-diol |
| InChI |
InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16?,17?,18?,19-,20-/m0/s1 |
| InChIKey |
BFPYWIDHMRZLRN-OQPPHWFISA-N |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
597 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
O[C@@]1([C@@]2(C(C3CCc4cc(ccc4C3CC2)O)CC1)C)C#C |
| Scans Performed |
4352 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
Ethynyl β-estradiol; Ethynyl 17β-estradiol; Ethynyl 17β-Oestradiol; Ethynyl E2 |
| Technique |
FT-Raman |
