| SpectraBase Spectrum ID |
GlJyKKROXKF |
| Name |
2-Iodo-1,3-bisd(4',4'-dimethyll-2'-oxazolinyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.049122858 u |
| Formula |
C16H19IN2O2 |
| InChI |
InChI=1S/C16H19IN2O2/c1-15(2)8-20-13(18-15)10-6-5-7-11(12(10)17)14-19-16(3,4)9-21-14/h5-7H,8-9H2,1-4H3 |
| InChIKey |
WWNFIJZMFVITJA-UHFFFAOYSA-N |
| Molecular Weight |
398.244 g/mol |
| SMILES |
C1(C2=C(C(C3=NC(C)(C)CO3)=CC=C2)I)=NC(C)(C)CO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913638 |
