| SpectraBase Spectrum ID |
JGNdwbtme0G |
| Name |
Diethylstilbestrol |
| CAS Registry Number |
56-53-1 |
| Classification |
Pharmaceutical drug, antineoplastic, estrogene, non-steroidal |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and 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 |
| Nominal Mass |
268 u |
| Quality |
887 |
| Retention Index |
1992 |
| SMILES |
OC=1C=CC(\C(=C\(C2=CC=C(C=C2)O)CC)CC)=CC1 |
| SPLASH |
splash10-066s-1940000000-5db1131858d59bd2c88e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Stilbestrol
Stilboestroform
4-[(E)-4-(4-Hydroxyphenyl)hex-3-en-3-yl]phenol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007803 |
