SpectraBase Spectrum ID |
1QKZE2A22eW |
Name |
Benzamide, 2-bromo-N-benzyl-N-decyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
429.166727653 u |
Formula |
C24H32BrNO |
InChI |
InChI=1S/C24H32BrNO/c1-2-3-4-5-6-7-8-14-19-26(20-21-15-10-9-11-16-21)24(27)22-17-12-13-18-23(22)25/h9-13,15-18H,2-8,14,19-20H2,1H3 |
InChIKey |
RHWFNPZQUACBIE-UHFFFAOYSA-N |
Molecular Weight |
430.430 g/mol |
SMILES |
C(N(CCCCCCCCCC)CC1=CC=CC=C1)(=O)C=1C(Br)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919384 |