| SpectraBase Spectrum ID |
1lBCaeE0px9 |
| Name |
rel-(3aR,8aS,E)-2-(Iodo(naphthalen-1-yl)methylene)-3a-methyloctahydroazulen-4(2H)-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.079360360 u |
| Formula |
C22H23IO |
| InChI |
InChI=1S/C22H23IO/c1-22-14-16(13-17(22)9-3-5-12-20(22)24)21(23)19-11-6-8-15-7-2-4-10-18(15)19/h2,4,6-8,10-11,17H,3,5,9,12-14H2,1H3/b21-16+/t17-,22+/m0/s1 |
| InChIKey |
ZPJIQAUWVKQRHB-FDXGOENOSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo302751p |
| Molecular Weight |
430.329 g/mol |
| Quality |
197 |
| Reported Formula |
C22H23OI |
| SMILES |
C1(\C(I)=C\2C[C@]3([C@@](C2)(C(CCCC3)=O)C)[H])=C2C(=CC=C1)C=CC=C2 |
| SPLASH |
splash10-0kar-9232000000-8c2de856ad43b492c2ba |
| Source of Spectrum |
JOC-78-2782-6b (DOI: 10.1021/jo302751p) |
| Thin-Layer Chromatography |
0.2 (pentanes/Et2O, 95:5) |
| Wiley ID |
1912395 |
