SpectraBase Spectrum ID |
K91yLf2Gai4 |
Name |
Acetamide, 2-phenyl-N-propyl-N-(hept-2-yl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
275.224914557 u |
Formula |
C18H29NO |
InChI |
InChI=1S/C18H29NO/c1-4-6-8-11-16(3)19(14-5-2)18(20)15-17-12-9-7-10-13-17/h7,9-10,12-13,16H,4-6,8,11,14-15H2,1-3H3 |
InChIKey |
GQZSMVWAJBDSLU-UHFFFAOYSA-N |
SMILES |
C(C(N(C(CCCCC)C)CCC)=O)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919798 |