| SpectraBase Spectrum ID |
L1KIt8PlQVw |
| Name |
tert-Butyl 2,3,4-trichloro-7-oxocyclohepta-1,3-diene-1-carboxylate |
| Appearance |
Orange oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13Cl3O3 |
| InChI |
InChI=1S/C12H13Cl3O3/c1-12(2,3)18-11(17)8-7(16)5-4-6(13)9(14)10(8)15/h4-5H2,1-3H3 |
| InChIKey |
XHTJUYWUJOLRBW-UHFFFAOYSA-N |
| Instrument Name |
HP6890-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.10.188 |
| Molecular Weight |
311.592 g/mol |
| Reported Formula |
C12H13Cl3O3 |
| SMILES |
C1CC(=C(C(=C(C1=O)C(=O)OC(C)(C)C)Cl)Cl)Cl |
| SPLASH |
splash10-06rl-9280000000-644082ae63d9bbe577dc |
| Source of Spectrum |
BJO-10-SM11-20 |
| Thin-Layer Chromatography |
Rf = 0.42 (hexane/ethyl acetate, 5:1) |
| Wiley ID |
1853967 |
