SpectraBase Spectrum ID |
PSsZweMVE1 |
Name |
Acetamide, N-(2-phenylethyl)-N-dodecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
331.287514814 u |
Formula |
C22H37NO |
InChI |
InChI=1S/C22H37NO/c1-3-4-5-6-7-8-9-10-11-15-19-23(21(2)24)20-18-22-16-13-12-14-17-22/h12-14,16-17H,3-11,15,18-20H2,1-2H3 |
InChIKey |
WTWVICFSTQTRSV-UHFFFAOYSA-N |
Molecular Weight |
331.544 g/mol |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)C)CCCCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864202 |