| SpectraBase Spectrum ID |
9qEr6gEIqRB |
| Name |
(1S,2S,3R)-2-(4-bromophenyl)-3-isopropenyl-3-methyl-cyclobutanecarbaldehyde |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H17BrO |
| InChI |
InChI=1S/C15H17BrO/c1-10(2)15(3)8-12(9-17)14(15)11-4-6-13(16)7-5-11/h4-7,9,12,14H,1,8H2,2-3H3/t12-,14-,15+/m1/s1 |
| InChIKey |
SYIRHKSUSMRTOW-YUELXQCFSA-N |
| Instrument Name |
Thermo Scientific DFS-HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202001634 |
| Molecular Weight |
293.204 g/mol |
| Optical Rotation |
[a]D29 = +54 (c = 1, CH2Cl2) |
| Reported Formula |
C15H17O(79)Br |
| SMILES |
[C@]1(C[C@]([C@@]1(c1ccc(cc1)Br)[H])(C(C)=C)C)(C=O)[H] |
| SPLASH |
splash10-001i-9200000000-d505b500e0b8d7978dd6 |
| Sample Comments |
dr = 92:8, er = 94:6 |
| Source of Spectrum |
ACI-59-SM64-3da |
| Thin-Layer Chromatography |
Rf = 0.41 (P/EtOAc, 9:1) |
| Wiley ID |
1857965 |
