| SpectraBase Spectrum ID |
H60ndKDEXYz |
| Name |
Diethyl (Z)-3-methyl-4-(2-oxo-1-phenylethylidene)cyclopentane-1,1-dicarboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.162373868 u |
| Formula |
C20H24O5 |
| InChI |
InChI=1S/C20H24O5/c1-4-24-18(22)20(19(23)25-5-2)11-14(3)16(12-20)17(13-21)15-9-7-6-8-10-15/h6-10,13-14H,4-5,11-12H2,1-3H3/b17-16+ |
| InChIKey |
JPGVZTROFFLCQI-WUKNDPDISA-N |
| Instrument Name |
JEOL JMS-700 MStation or JMS-Q1000TD TLC-MS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/asia.202201241 |
| Molecular Weight |
344.407 g/mol |
| Optical Rotation |
[a]D31 = +1.81 (c = 1.00, CHCl3) |
| Quality |
250 |
| Reported Formula |
C20H24O5 |
| SMILES |
C(C)OC(=O)C1(CC(\C(C1)=C/(C=O)C1=CC=CC=C1)C)C(=O)OCC |
| SPLASH |
splash10-00kf-2920000000-9750c3c29036a473d87c |
| Sample Comments |
50% ee |
| Source of Spectrum |
CAJ-18-SM13-2h (DOI: 10.1002/asia.202201241) |
| Thin-Layer Chromatography |
0.43 (n-hexane/AcOEt, 3:1) |
| Wiley ID |
1901130 |
