| SpectraBase Spectrum ID |
aDS1gM7xhJ |
| Name |
Estrone |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| 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/t14-,15-,16+,18+/m1/s1 |
| InChIKey |
DNXHEGUUPJUMQT-CBZIJGRNSA-N |
| SMILES |
Oc1cc2c(cc1)[C@@]1([C@@](CC2)([C@]2([C@](CC1)(C(CC2)=O)C)[H])[H])[H] |
| SPLASH |
splash10-00di-3940000000-160c8c6e7100f4daffe8 |
| Source of Spectrum |
Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
