| SpectraBase Spectrum ID |
JBnWPXLCIEI |
| Name |
3,3-Ethylendioxy-estr-5-en-17-one |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
316.203844759 u |
| Formula |
C20H28O3 |
| InChI |
InChI=1S/C20H28O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h2,14-17H,3-12H2,1H3/t14?,15?,16?,17?,19-/m0/s1 |
| InChIKey |
BEHDBDKCIVYEIX-JXDCGSQQSA-N |
| Molecular Weight |
316.441 g/mol |
| Nominal Mass |
316 u |
| Number of Peaks |
39 |
| SMILES |
C1OC2(OC1)CC1=CCC3C4CCC(=O)[C@@]4(C)CCC3C1CC2 |
| SPLASH |
splash10-0002-9100000000-961722991987ac6e20be |
| Source File Reference |
DSHS_50_0500 |
| Source of Spectrum |
Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany |
| Wiley ID |
50_500 |
