| SpectraBase Spectrum ID |
BPRmUhY4lHW |
| Name |
rel-(3aR,8aS,E)-2-(1-Iodoethylidene)-3a-methyloctahydroazulen-4(2H)-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.048060231 u |
| Formula |
C13H19IO |
| InChI |
InChI=1S/C13H19IO/c1-9(14)10-7-11-5-3-4-6-12(15)13(11,2)8-10/h11H,3-8H2,1-2H3/b10-9+/t11-,13+/m0/s1 |
| InChIKey |
REZQUBWMYYEXKM-IMYBMRPDSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo302751p |
| Molecular Weight |
318.198 g/mol |
| Quality |
295 |
| Reported Formula |
C13H19OI |
| SMILES |
C1CCC[C@@]2([C@](C1=O)(C\C(C2)=C/(C)I)C)[H] |
| SPLASH |
splash10-014m-4719000000-e4f1c0986971faf4b4ca |
| Source of Spectrum |
JOC-78-2783-6f (DOI: 10.1021/jo302751p) |
| Thin-Layer Chromatography |
0.45 (pentanes/Et2O, 8:2) |
| Wiley ID |
1912399 |
