| SpectraBase Spectrum ID |
2KdhYQoDiP6 |
| Name |
rel-(3aR,8aS,E)-2-(Iodo(phenyl)methylene)-3a-methyloctahydroazulen-4(2H)-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.063710295 u |
| Formula |
C18H21IO |
| InChI |
InChI=1S/C18H21IO/c1-18-12-14(17(19)13-7-3-2-4-8-13)11-15(18)9-5-6-10-16(18)20/h2-4,7-8,15H,5-6,9-12H2,1H3/b17-14+/t15-,18+/m0/s1 |
| InChIKey |
GZSVVEFAMLJTOH-MWZLPJONSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo302751p |
| Molecular Weight |
380.269 g/mol |
| Quality |
114 |
| Reported Formula |
C18H21OI |
| SMILES |
C1(\C(I)=C\2C[C@]3([C@@](C2)(C(CCCC3)=O)C)[H])=CC=CC=C1 |
| SPLASH |
splash10-0gx0-0597000000-3caff35e3e37084d388c |
| Source of Spectrum |
JOC-78-2782-6a (DOI: 10.1021/jo302751p) |
| Thin-Layer Chromatography |
0.35 (pentanes/Et2O, 9:1) |
| Wiley ID |
1912394 |
