SpectraBase Spectrum ID |
DiRHEN2RjG9 |
Name |
rel-(3aS,7aR,E)-2-(Iodo(phenyl)methylene)-3a-methylhexahydro-1H-inden-4(2H)-one |
Appearance |
Colorless oil |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
366.048060231 u |
Formula |
C17H19IO |
InChI |
InChI=1S/C17H19IO/c1-17-11-13(10-14(17)8-5-9-15(17)19)16(18)12-6-3-2-4-7-12/h2-4,6-7,14H,5,8-11H2,1H3/b16-13+/t14-,17+/m1/s1 |
InChIKey |
QULZJBCFRVXSIG-CRGYSLNVSA-N |
Instrument Name |
GCMS |
Ionization Type |
EI |
Literature Reference DOI |
10.1021/jo302751p |
Molecular Weight |
366.242 g/mol |
Quality |
130 |
Reported Formula |
C17H19OI |
SMILES |
C1C([C@@]2([C@](CC1)(C\C(C2)=C\(I)C1=CC=CC=C1)[H])C)=O |
SPLASH |
splash10-00ko-2891000000-527eb47f8a2c9b90747e |
Source of Spectrum |
JOC-78-2783-6k (DOI: 10.1021/jo302751p) |
Thin-Layer Chromatography |
0.32 (petrolether/Et2O, 8:2) |
Wiley ID |
1912403 |