| SpectraBase Spectrum ID |
2f3CGYADW1v |
| Name |
Estrone @ |
| CAS Registry Number |
53-16-7 |
| Classification |
Estrogen |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
270.161979946 u |
| Formula |
C18H22O2 |
| InChI |
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3 |
| InChIKey |
DNXHEGUUPJUMQT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
270.372 g/mol |
| SMILES |
C12(C(C3CCc4c(C3CC2)ccc(O)c4)CCC1=O)C |
| SPLASH |
splash10-00dj-3920000000-72a6a0c2f670d50ec54f |
| 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 |
| Synonyms |
Ethinylestradiol -HCCH |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5178 |
