| SpectraBase Spectrum ID |
2kNF3ij0tIu |
| Name |
Diethylstilbestrol AC I |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
310.156894565 u |
| Formula |
C20H22O3 |
| InChI |
InChI=1S/C20H22O3/c1-4-19(15-6-10-17(22)11-7-15)20(5-2)16-8-12-18(13-9-16)23-14(3)21/h6-13,22H,4-5H2,1-3H3/b20-19+ |
| InChIKey |
KRQVPGASQFBKSX-FMQUCBEESA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
310.393 g/mol |
| Nominal Mass |
310 u |
| Quality |
863 |
| Retention Index |
2289 |
| SMILES |
OC1=CC=C(\C(=C\(C2=CC=C(C=C2)OC(=O)C)CC)CC)C=C1 |
| SPLASH |
splash10-066s-1940000000-d108c2c161c13499de9b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(4-(4-hydroxyphenyl)hex-3-en-3-yl)phenyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007804 |
