SpectraBase Spectrum ID |
IK7Tbc01d0j |
Name |
Phenylacetamide, N-octyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
247.193614428 u |
Formula |
C16H25NO |
InChI |
InChI=1S/C16H25NO/c1-2-3-4-5-6-10-13-17-16(18)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,17,18) |
InChIKey |
AKPIJQRYVLUWRL-UHFFFAOYSA-N |
Molecular Weight |
247.382 g/mol |
SMILES |
C(NCCCCCCCC)(=O)CC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959466 |