| SpectraBase Spectrum ID |
64stSZ5ltHa |
| Name |
1,4-Dihydro-2-methyl-1,4-dioxonaphthalen-3-yl 11-bromoundecanoate |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H27BrO4 |
| InChI |
InChI=1S/C22H27BrO4/c1-16-20(25)17-12-9-10-13-18(17)21(26)22(16)27-19(24)14-8-6-4-2-3-5-7-11-15-23/h9-10,12-13H,2-8,11,14-15H2,1H3 |
| InChIKey |
HLRMBSHTYQRZLX-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/ml300242v |
| Molecular Weight |
435.358 g/mol |
| SMILES |
C=1(C(c2c(C(C1OC(=O)CCCCCCCCCCBr)=O)cccc2)=O)C |
| SPLASH |
splash10-0002-0590000000-8caecc2b8956cb6daa2b |
| Source of Spectrum |
MCS-3-SM4-25b |
| Thin-Layer Chromatography |
Rf = 0.55 (hexanes/EtOAc, 5:1) |
| Wiley ID |
1864059 |
