SpectraBase Spectrum ID |
FAE1LaD7Nr7 |
Name |
1-Cyclopropanecarboxamide, 2-phenyl-N-hexyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
245.177964364 u |
Formula |
C16H23NO |
InChI |
InChI=1S/C16H23NO/c1-2-3-4-8-11-17-16(18)15-12-14(15)13-9-6-5-7-10-13/h5-7,9-10,14-15H,2-4,8,11-12H2,1H3,(H,17,18) |
InChIKey |
PXGCWKFAOBRYAR-UHFFFAOYSA-N |
Molecular Weight |
245.366 g/mol |
SMILES |
C(=O)(NCCCCCC)C1C(C1)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947811 |