SpectraBase Spectrum ID |
BQ7t6t7NqI2 |
Name |
4-Bromo-5-isopropoxy-2-nitroaniline, N,N-bis-methyl |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
302.026605348 u |
Formula |
C11H15BrN2O3 |
InChI |
InChI=1S/C11H15BrN2O3/c1-7(2)17-11-6-9(13(3)4)10(14(15)16)5-8(11)12/h5-7H,1-4H3 |
InChIKey |
DEPJAICTAILFSC-UHFFFAOYSA-N |
Molecular Weight |
303.156 g/mol |
SMILES |
C1(N(C)C)=C(C=C(C(=C1)OC(C)C)Br)N(=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853782 |