| SpectraBase Spectrum ID |
18VGYruOeYB |
| Name |
1,1'-Biphenyl, 3,3',5-triiodo-6'-methoxy-2-methyl-4-(1-methylethoxy)-2'-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
678.821342995 u |
| Formula |
C17H16I3NO4 |
| InChI |
InChI=1S/C17H16I3NO4/c1-8(2)25-17-12(19)7-10(9(3)15(17)20)14-13(24-4)6-5-11(18)16(14)21(22)23/h5-8H,1-4H3 |
| InChIKey |
FBQFUADOPOSPOY-UHFFFAOYSA-N |
| Molecular Weight |
679.031 g/mol |
| SMILES |
C=1(C(N(=O)=O)=C(I)C=CC1OC)C=1C(=C(I)C(=C(C1)I)OC(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894999 |
