| SpectraBase Spectrum ID |
AXtIsQGpdoP |
| Name |
(1S,2R)-3-methyl-2-phenyl-3-vinyl-cyclobutanecarbaldehyde |
| Appearance |
Colorles oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H16O |
| InChI |
InChI=1S/C14H16O/c1-3-14(2)9-12(10-15)13(14)11-7-5-4-6-8-11/h3-8,10,12-13H,1,9H2,2H3/t12-,13-,14?/m1/s1 |
| InChIKey |
STZGMTAZSZCQIN-ZFXTZCCVSA-N |
| Instrument Name |
Thermo Scientific DFS-HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202001634 |
| Molecular Weight |
200.281 g/mol |
| Optical Rotation |
[a]D28 = +96 [c = 1, CH2Cl2) |
| Reported Formula |
C14H16O |
| SMILES |
[C@]1(CC([C@@]1(c1ccccc1)[H])(C=C)C)(C=O)[H] |
| SPLASH |
splash10-001i-2900000000-ed132b5f84538fecc5f4 |
| Sample Comments |
dr = 88:12, er = 92:8 (major), er = 90:10 (minor) |
| Source of Spectrum |
ACI-59-SM93-3ab |
| Thin-Layer Chromatography |
Rf = 0.35 (P/EtOAc, 9:1) |
| Wiley ID |
1857960 |
