SpectraBase Spectrum ID |
51saOtss2WE |
Name |
Phenylacetamide, N-nonyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
261.209264492 u |
Formula |
C17H27NO |
InChI |
InChI=1S/C17H27NO/c1-2-3-4-5-6-7-11-14-18-17(19)15-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3,(H,18,19) |
InChIKey |
TYBVVSYINSQHHY-UHFFFAOYSA-N |
Molecular Weight |
261.409 g/mol |
SMILES |
C(NCCCCCCCCC)(=O)CC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935275 |