| SpectraBase Spectrum ID |
ClJCoTy50Q0 |
| Name |
Dimethyl 6-[(p-iodophenyl)ethynylazulene]-1,3-dicarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H19IO4 |
| InChI |
InChI=1S/C24H19IO4/c1-3-28-23(26)21-15-22(24(27)29-4-2)20-14-10-17(9-13-19(20)21)6-5-16-7-11-18(25)12-8-16/h7-15H,3-4H2,1-2H3 |
| InChIKey |
GMEDWUXSYQLECU-UHFFFAOYSA-N |
| Molecular Weight |
498.316 g/mol |
| SMILES |
c12c(c(C(=O)OCC)cc2C(=O)OCC)ccc(C#Cc2ccc(I)cc2)cc1 |
| SPLASH |
splash10-0002-0000900000-d320bcec0609199d3906 |
| Source of Spectrum |
C-125-1679-7a |
| Wiley ID |
1701237 |
