SpectraBase Spectrum ID |
eIcV6e0anl |
Name |
Acetamide, N-(2-phenylethyl)-N-heptyl- |
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/c1-3-4-5-6-10-14-18(16(2)19)15-13-17-11-8-7-9-12-17/h7-9,11-12H,3-6,10,13-15H2,1-2H3 |
InChIKey |
RTEYYVXWDRVEHR-UHFFFAOYSA-N |
Molecular Weight |
261.409 g/mol |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)C)CCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93313 |