| SpectraBase Spectrum ID |
AwincOsjXN4 |
| Name |
2-(4-(10-Bromodecyloxy)phenyl)-1,4-dihydro-1,4-dioxonaphthalen-3-yl acetate |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H31BrO5 |
| InChI |
InChI=1S/C28H31BrO5/c1-20(30)34-28-25(26(31)23-12-8-9-13-24(23)27(28)32)21-14-16-22(17-15-21)33-19-11-7-5-3-2-4-6-10-18-29/h8-9,12-17H,2-7,10-11,18-19H2,1H3 |
| InChIKey |
AQWGTMJOMRLFRM-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/ml300242v |
| Molecular Weight |
527.455 g/mol |
| SMILES |
C(Br)CCCCCCCCCOc1ccc(cc1)C=1C(c2c(C(C1OC(C)=O)=O)cccc2)=O |
| SPLASH |
splash10-0002-0910000000-0ffee2dfd4c55f8ba8df |
| Source of Spectrum |
MCS-3-SM4-15b |
| Thin-Layer Chromatography |
Rf = 0.29 (hexanes/EtOAc, 9:1) |
| Wiley ID |
1864057 |
