SpectraBase Spectrum ID |
DyJPcc14cH0 |
Name |
N-(Tert-butyl)-2-(2-methylphenyl)-4H-3,1-benzoxazine-4-carboxamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
322.168127954 u |
Formula |
C20H22N2O2 |
InChI |
InChI=1S/C20H22N2O2/c1-13-9-5-6-10-14(13)19-21-16-12-8-7-11-15(16)17(24-19)18(23)22-20(2,3)4/h5-12,17H,1-4H3,(H,22,23) |
InChIKey |
ZJAAZUCGGGTGTF-UHFFFAOYSA-N |
Molecular Weight |
322.408 g/mol |
SMILES |
C1(=NC2=CC=CC=C2C(O1)C(NC(C)(C)C)=O)C=1C(C)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851203 |