| SpectraBase Spectrum ID |
8YLxDIjf6F6 |
| Name |
rel-(3aR,8aS,E)-2-(Iodomethylene)-3a-methyloctahydroazulen-4(2H)-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.032410166 u |
| Formula |
C12H17IO |
| InChI |
InChI=1S/C12H17IO/c1-12-7-9(8-13)6-10(12)4-2-3-5-11(12)14/h8,10H,2-7H2,1H3/b9-8+/t10-,12+/m0/s1 |
| InChIKey |
KPAPYOVBDWHSKV-SEOINYINSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo302751p |
| Molecular Weight |
304.171 g/mol |
| Quality |
158 |
| Reported Formula |
C12H17OI |
| SMILES |
C1CCC[C@@]2([C@](C1=O)(C\C(C2)=C\I)C)[H] |
| SPLASH |
splash10-002f-9412000000-d91b8d0eb4a0bdef0a89 |
| Source of Spectrum |
JOC-78-2783-6g (DOI: 10.1021/jo302751p) |
| Thin-Layer Chromatography |
0.1 (pentanes/Et2O, 98:2) |
| Wiley ID |
1912400 |
