| SpectraBase Spectrum ID |
CKbYthD0ilB |
| Name |
Diethylstilbestrol |
| CAS Registry Number |
56-53-1 |
| Classification |
Estrogen |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
268.146329882 u |
| Formula |
C18H20O2 |
| InChI |
InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+ |
| InChIKey |
RGLYKWWBQGJZGM-ISLYRVAYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
268.356 g/mol |
| SMILES |
c1cc(\C(CC)=C\(c2ccc(cc2)O)CC)ccc1O |
| SPLASH |
splash10-066r-5960000000-4591936d3c412bc3cf19 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_1419 |
