| SpectraBase Spectrum ID |
5ZXJSLJLzx0 |
| Name |
(1S*,2R*,3R*,6R*,7S*,9S*)-9-(4-bromobutanoyloxymethyl)-2-iodo-4-oxatricyclo[4.2.1.0(3,7)]nonan-5-one |
| Appearance |
Slightly greenish viscous oil |
| Carrier Gas |
Helium (1.4 ml/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.927666991 u |
| Formula |
C13H16BrIO4 |
| GC Column |
Macherey-Nagel Optima delta-3 (20 m x 0.25 mm, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 280oC |
| InChI |
InChI=1S/C13H16BrIO4/c14-3-1-2-9(16)18-5-8-6-4-7-10(8)13(17)19-12(7)11(6)15/h6-8,10-12H,1-5H2/t6-,7-,8-,10+,11-,12-/m1/s1 |
| InChIKey |
HTGWDIJIUZEPSA-VBIOEKINSA-N |
| Inlet Type |
Split |
| Instrument Name |
Finnigan Trace GC/MS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201604950 |
| Molecular Weight |
443.075 g/mol |
| Quality |
161 |
| Reported Formula |
C13H16(79)BrIO4 |
| SMILES |
[C@@]12([C@@]3(C[C@@]([C@]2(I)[H])([C@]([C@]3(C(=O)O1)[H])(COC(CCCBr)=O)[H])[H])[H])[H] |
| SPLASH |
splash10-0pvm-3900000000-296e2d1de8d0da4b3b80 |
| Source of Spectrum |
ACI-55-SM7-1e (DOI: 10.1002/anie.201604950) |
| Wiley ID |
1899219 |
![(1S*,2R*,3R*,6R*,7S*,9S*)-9-(4-bromobutanoyloxymethyl)-2-iodo-4-oxatricyclo[4.2.1.0(3,7)]nonan-5-one](/api/spectrum/5ZXJSLJLzx0/structure.png?h=300&w=458 "(1S*,2R*,3R*,6R*,7S*,9S*)-9-(4-bromobutanoyloxymethyl)-2-iodo-4-oxatricyclo[4.2.1.0(3,7)]nonan-5-one")
