SpectraBase Spectrum ID |
89cSqLMM05o |
Name |
2-(4-Bromophenyl)-N-cyclopropyl-N-methylpropanamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
281.041527138 u |
Formula |
C13H16BrNO |
InChI |
InChI=1S/C13H16BrNO/c1-9(10-3-5-11(14)6-4-10)13(16)15(2)12-7-8-12/h3-6,9,12H,7-8H2,1-2H3 |
InChIKey |
PXCSBSQORIZADU-UHFFFAOYSA-N |
SMILES |
C1(Br)=CC=C(C=C1)C(C(=O)N(C1CC1)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937173 |