| SpectraBase Spectrum ID |
DEOeaJKeFeG |
| Name |
dimethyl 2-[(E)-1-benzyl-3-chloro-2-methyl-oct-2-enyl]propanedioate |
| Appearance |
Colorless thick oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.175437110 u |
| Formula |
C21H29ClO4 |
| InChI |
InChI=1S/C21H29ClO4/c1-5-6-8-13-18(22)15(2)17(14-16-11-9-7-10-12-16)19(20(23)25-3)21(24)26-4/h7,9-12,17,19H,5-6,8,13-14H2,1-4H3/b18-15+ |
| InChIKey |
OOMWDZGVOKOLOY-OBGWFSINSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201803541 |
| Molecular Weight |
380.912 g/mol |
| Quality |
171 |
| Reported Formula |
C21H29ClO4 |
| SMILES |
COC(C(C(=O)OC)C(\C(=C/(CCCCC)Cl)C)CC1=CC=CC=C1)=O |
| SPLASH |
splash10-0007-9660000000-fa85d94c5ecf02833902 |
| Source of Spectrum |
ACI-57-SM13-6k (DOI: 10.1002/anie.201803541) |
| Wiley ID |
1893188 |
![dimethyl 2-[(E)-1-benzyl-3-chloro-2-methyl-oct-2-enyl]propanedioate](/api/spectrum/DEOeaJKeFeG/structure.png?h=300&w=458 "dimethyl 2-[(E)-1-benzyl-3-chloro-2-methyl-oct-2-enyl]propanedioate")
