SpectraBase Spectrum ID |
6GyqAN1fMay |
Name |
Butyramide, N-allyl-N-(2-ethylhexyl)-2-bromo- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
317.135427525 u |
Formula |
C15H28BrNO |
InChI |
InChI=1S/C15H28BrNO/c1-5-9-10-13(7-3)12-17(11-6-2)15(18)14(16)8-4/h6,13-14H,2,5,7-12H2,1,3-4H3 |
InChIKey |
GSLMEFSMUVEGHZ-UHFFFAOYSA-N |
Molecular Weight |
318.299 g/mol |
SMILES |
C(N(CC(CCCC)CC)CC=C)(=O)C(CC)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810977 |