| SpectraBase Spectrum ID |
AfmredFQ6HF |
| Name |
4-(T-Butyl)-2-(2'-iodophenyl)-4H-1,3-benzoxazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.043309203 u |
| Formula |
C18H18INO |
| InChI |
InChI=1S/C18H18INO/c1-18(2,3)16-13-9-5-7-11-15(13)21-17(20-16)12-8-4-6-10-14(12)19/h4-11,16H,1-3H3 |
| InChIKey |
ALNDGKLKDBYJBQ-UHFFFAOYSA-N |
| Molecular Weight |
391.252 g/mol |
| SMILES |
C1(=NC(C(C)(C)C)C=2C(O1)=CC=CC2)C=1C(I)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869126 |
