| SpectraBase Spectrum ID |
19BCWkB1rU |
| Name |
(1S*,3R*,6R*,7S*,9S*)-9-(4-bromobutanoyloxymethyl)-4-oxatricyclo[4.2.1.0(3,7)]nonan-5-one |
| Appearance |
Colourless viscous oil |
| Carrier Gas |
Helium (1.4 ml/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.031022023 u |
| Formula |
C13H17BrO4 |
| 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/C13H17BrO4/c14-3-1-2-11(15)17-6-9-7-4-8-10(5-7)18-13(16)12(8)9/h7-10,12H,1-6H2/t7-,8-,9-,10-,12-/m0/s1 |
| InChIKey |
QFIUMOCFIFFWNK-NDCWEZFPSA-N |
| Inlet Type |
Split |
| Instrument Name |
Finnigan Trace GC/MS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201604950 |
| Molecular Weight |
317.179 g/mol |
| Quality |
173 |
| Reported Formula |
C13H17(79)BrO4 |
| SMILES |
[C@@]12([C@@]3(C[C@@](C2)([C@@]([C@]3(C(=O)O1)[H])(COC(CCCBr)=O)[H])[H])[H])[H] |
| SPLASH |
splash10-0m93-5910000000-03eebc1d2a82b8881e76 |
| Source of Spectrum |
ACI-55-SM7-2e (DOI: 10.1002/anie.201604950) |
| Wiley ID |
1899222 |
![(1S*,3R*,6R*,7S*,9S*)-9-(4-bromobutanoyloxymethyl)-4-oxatricyclo[4.2.1.0(3,7)]nonan-5-one](/api/spectrum/19BCWkB1rU/structure.png?h=300&w=458 "(1S*,3R*,6R*,7S*,9S*)-9-(4-bromobutanoyloxymethyl)-4-oxatricyclo[4.2.1.0(3,7)]nonan-5-one")
