| SpectraBase Spectrum ID |
FgROLJWYXTH |
| Name |
tert-butyl 7-oxocyclohepta-1,5-diene-1-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O3 |
| InChI |
InChI=1S/C12H16O3/c1-12(2,3)15-11(14)9-7-5-4-6-8-10(9)13/h6-8H,4-5H2,1-3H3 |
| InChIKey |
ASGVJXGJSLAZAL-UHFFFAOYSA-N |
| Instrument Name |
HP6890-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.10.188 |
| Molecular Weight |
208.257 g/mol |
| Reported Formula |
C12H16O3 |
| SMILES |
C1=CCCC=C(C1=O)C(=O)OC(C)(C)C |
| SPLASH |
splash10-0550-9600000000-09091b4d1c71b1383c3a |
| Source of Spectrum |
BJO-10-SM5-11a |
| Thin-Layer Chromatography |
Rf = 0.37 (hexane/ethyl acetate, 3:1) |
| Wiley ID |
1853960 |
