SpectraBase Spectrum ID |
BBbYYTR7ac1 |
Name |
1-(5'-Bromo-2'-nitrophenyl)-2-isopropylaminoethan-1-ol |
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)13-6-11(15)9-5-8(12)3-4-10(9)14(16)17/h3-5,7,11,13,15H,6H2,1-2H3 |
InChIKey |
ABPOODJTKVRXJG-UHFFFAOYSA-N |
SMILES |
C(NCC(O)C1=C(N(=O)=O)C=CC(Br)=C1)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937335 |