| SpectraBase Spectrum ID |
6T46XvxNHfF |
| Name |
3-Bromopropyl 2-(1,4-dihydro-2-methyl-1,4-dioxonaphthalen-3-yloxy)acetate |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H15BrO5 |
| InChI |
InChI=1S/C16H15BrO5/c1-10-14(19)11-5-2-3-6-12(11)15(20)16(10)22-9-13(18)21-8-4-7-17/h2-3,5-6H,4,7-9H2,1H3 |
| InChIKey |
IQWNFUIFPIZTEO-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/ml300242v |
| Molecular Weight |
367.195 g/mol |
| SMILES |
c1cc2c(cc1)C(C(=C(C2=O)C)OCC(OCCCBr)=O)=O |
| SPLASH |
splash10-0zgi-0490000000-ba9c68f8c04381d10ab3 |
| Source of Spectrum |
MCS-3-SM6-30 |
| Thin-Layer Chromatography |
Rf = 0.21 (hexanes/EtOAc, 5:1) |
| Wiley ID |
1864066 |
