| SpectraBase Spectrum ID |
B4KbzZSUZkW |
| Name |
(1S,2R,3R)-2-(2-furyl)-3-isopropenyl-3-methyl-cyclobutanecarbaldehyde |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O2 |
| InChI |
InChI=1S/C13H16O2/c1-9(2)13(3)7-10(8-14)12(13)11-5-4-6-15-11/h4-6,8,10,12H,1,7H2,2-3H3/t10-,12+,13+/m1/s1 |
| InChIKey |
NVOSAPRNRWRRFG-WXHSDQCUSA-N |
| Instrument Name |
Thermo Scientific DFS-HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202001634 |
| Molecular Weight |
204.269 g/mol |
| Optical Rotation |
[a]D29 = +82 (c = 1, CH2Cl2) |
| Reported Formula |
C13H16O2 |
| SMILES |
[C@]1(C[C@]([C@@]1(c1ccco1)[H])(C(C)=C)C)(C=O)[H] |
| SPLASH |
splash10-006x-9600000000-ae146c36306b0a0a975c |
| Sample Comments |
dr = 87:13, er = 89:11 |
| Source of Spectrum |
ACI-59-SM88-3ma |
| Thin-Layer Chromatography |
Rf = 0.31 (P/EtOAc, 9:1) |
| Wiley ID |
1857973 |
