| SpectraBase Spectrum ID |
8m0FtK2Fh6W |
| Name |
Dimethyl (E)-2-(5-chloro-2-phenylundec-4-en-3-yl)malonate |
| Appearance |
Colorless thick oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.191087174 u |
| Formula |
C22H31ClO4 |
| InChI |
InChI=1S/C22H31ClO4/c1-5-6-7-11-14-18(23)15-19(16(2)17-12-9-8-10-13-17)20(21(24)26-3)22(25)27-4/h8-10,12-13,15-16,19-20H,5-7,11,14H2,1-4H3/b18-15+ |
| InChIKey |
YDPRCVYLGCDQFD-OBGWFSINSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201803541 |
| Molecular Weight |
394.939 g/mol |
| Quality |
247 |
| Reported Formula |
C22H31ClO4 |
| SMILES |
COC(C(C(=O)OC)C(\C=C/(CCCCCC)Cl)C(C1=CC=CC=C1)C)=O |
| SPLASH |
splash10-0a6r-8940000000-0ef0f1f249f5c47d9e03 |
| Sample Comments |
Mixture of diastereomers (1.5:1) |
| Source of Spectrum |
ACI-57-SM17-6r (DOI: 10.1002/anie.201803541) |
| Wiley ID |
1893195 |
