| SpectraBase Spectrum ID |
7q2xtIW4nr |
| Name |
Diethyl (Z)-3-methyl-4-(1-oxohexan-2-ylidene)cyclopentane-1,1-dicarboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.193673997 u |
| Formula |
C18H28O5 |
| InChI |
InChI=1S/C18H28O5/c1-5-8-9-14(12-19)15-11-18(10-13(15)4,16(20)22-6-2)17(21)23-7-3/h12-13H,5-11H2,1-4H3/b15-14- |
| InChIKey |
BQHVOMPFPMIWIK-PFONDFGASA-N |
| Instrument Name |
JEOL JMS-700 MStation or JMS-Q1000TD TLC-MS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/asia.202201241 |
| Molecular Weight |
324.417 g/mol |
| Optical Rotation |
[a]D28 = +2.77 (c = 0.40, CHCl3) |
| Quality |
227 |
| Reported Formula |
C18H28O5 |
| SMILES |
C(C)OC(=O)C1(CC(\C(C1)=C/(C=O)CCCC)C)C(=O)OCC |
| SPLASH |
splash10-0udi-1692000000-f4ba267f25e6ea1fcdee |
| Sample Comments |
75% ee |
| Source of Spectrum |
CAJ-18-SM13-2i (DOI: 10.1002/asia.202201241) |
| Thin-Layer Chromatography |
0.40 (n-hexane/AcOEt, 5:1) |
| Wiley ID |
1901131 |
