SpectraBase Spectrum ID |
5HHcQq6EXSB |
Name |
Cyclobutanecarboxamide, N-2-ethylhexyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
211.193614428 u |
Formula |
C13H25NO |
InChI |
InChI=1S/C13H25NO/c1-3-5-7-11(4-2)10-14-13(15)12-8-6-9-12/h11-12H,3-10H2,1-2H3,(H,14,15) |
InChIKey |
ZCFXPBKHOHYEDD-UHFFFAOYSA-N |
Molecular Weight |
211.349 g/mol |
SMILES |
C1CCC1C(NCC(CCCC)CC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980346 |