| SpectraBase Spectrum ID |
Ba1oD5pZlTt |
| Name |
(1'E)-7-(4',4'-Dimethylpent-1'-enyl)-2H-benzo[b][1,4]dioxepin-3(4H)-one |
| Appearance |
Colorless odoriferous oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20O3 |
| InChI |
InChI=1S/C16H20O3/c1-16(2,3)8-4-5-12-6-7-14-15(9-12)19-11-13(17)10-18-14/h4-7,9H,8,10-11H2,1-3H3/b5-4+ |
| InChIKey |
OVUKUNJZNYQXJW-SNAWJCMRSA-N |
| Ionization Type |
EI |
| Molecular Weight |
260.333 g/mol |
| SMILES |
c1cc2c(OCC(CO2)=O)cc1\C=C\CC(C)(C)C |
| SPLASH |
splash10-0zfr-5090000000-c897e855c859b47a1ed7 |
| Source of Spectrum |
WO2011098472A1 |
| Thin-Layer Chromatography |
Rf = 0.36 (pentane/ethyl acetate, 95:5) |
| Wiley ID |
1843001 |
![(1'E)-7-(4',4'-Dimethylpent-1'-enyl)-2H-benzo[b][1,4]dioxepin-3(4H)-one](/api/spectrum/Ba1oD5pZlTt/structure.png?h=300&w=458 "(1'E)-7-(4',4'-Dimethylpent-1'-enyl)-2H-benzo[b][1,4]dioxepin-3(4H)-one")
