SpectraBase Spectrum ID |
93n7ptKIn2y |
Name |
Hexanamide, 6-bromo-N-2-ethylhexyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
305.135427525 u |
Formula |
C14H28BrNO |
InChI |
InChI=1S/C14H28BrNO/c1-3-5-9-13(4-2)12-16-14(17)10-7-6-8-11-15/h13H,3-12H2,1-2H3,(H,16,17) |
InChIKey |
ZTGZRJWRWJYJED-UHFFFAOYSA-N |
Molecular Weight |
306.288 g/mol |
SMILES |
C(CCCCCBr)(NCC(CCCC)CC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977016 |