| SpectraBase Spectrum ID |
4bXeFhmD4m3 |
| Name |
3-(3-Hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2,2-dimethylpropyl undecanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.256274254 u |
| Formula |
C26H36O5 |
| InChI |
InChI=1S/C26H36O5/c1-4-5-6-7-8-9-10-11-16-22(27)31-18-26(2,3)17-21-23(28)19-14-12-13-15-20(19)24(29)25(21)30/h12-15,30H,4-11,16-18H2,1-3H3 |
| InChIKey |
YXGFFQOPOYMUHL-UHFFFAOYSA-N |
| Molecular Weight |
428.569 g/mol |
| SMILES |
C1(=C(C(=O)C=2C(C1=O)=CC=CC2)O)CC(COC(=O)CCCCCCCCCC)(C)C |
