| SpectraBase Spectrum ID |
7HayQ8G30Q5 |
| Name |
(1S,2S,3R)-3-isopropenyl-3-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanecarbaldehyde |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H29BO3 |
| InChI |
InChI=1S/C21H29BO3/c1-14(2)21(7)12-16(13-23)18(21)15-8-10-17(11-9-15)22-24-19(3,4)20(5,6)25-22/h8-11,13,16,18H,1,12H2,2-7H3/t16-,18-,21+/m1/s1 |
| InChIKey |
TYWVFGMBFFNIAW-BLIXFSHQSA-N |
| Instrument Name |
Thermo Scientific DFS-HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202001634 |
| Molecular Weight |
340.270 g/mol |
| Optical Rotation |
[a]D28 = +76 (c = 1, CH2Cl2) |
| Reported Formula |
C21H29BO3 |
| SMILES |
[C@]1(C[C@]([C@@]1(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)[H])(C(C)=C)C)(C=O)[H] |
| SPLASH |
splash10-0a4i-0691000000-bcd9024a8f9c88f89d12 |
| Sample Comments |
dr = 91:9, er = 94:6 |
| Source of Spectrum |
ACI-59-SM81-3ka |
| Thin-Layer Chromatography |
Rf = 0.25 (P/EtOAc, 9:1) |
| Wiley ID |
1857972 |
![(1S,2S,3R)-3-isopropenyl-3-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanecarbaldehyde](/api/spectrum/7HayQ8G30Q5/structure.png?h=300&w=458 "(1S,2S,3R)-3-isopropenyl-3-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanecarbaldehyde")
