SpectraBase Spectrum ID |
28C69SwuJXA |
Name |
[1-(2-Bromophenyl)cyclobutyl]methanamine, N,N-diacetyl |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
323.052091822 u |
Formula |
C15H18BrNO2 |
InChI |
InChI=1S/C15H18BrNO2/c1-11(18)17(12(2)19)10-15(8-5-9-15)13-6-3-4-7-14(13)16/h3-4,6-7H,5,8-10H2,1-2H3 |
InChIKey |
MWNSYSHQOWKDTE-UHFFFAOYSA-N |
Molecular Weight |
324.218 g/mol |
SMILES |
C(N(C(=O)C)C(=O)C)C1(CCC1)C1=C(C=CC=C1)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944021 |