SpectraBase Spectrum ID |
6K8Ncg1BPaL |
Name |
Benzamide, 4-propyl-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/c1-3-5-6-7-8-9-10-11-12-13-19-23-22(24)21-17-15-20(14-4-2)16-18-21/h15-18H,3-14,19H2,1-2H3,(H,23,24) |
InChIKey |
OQNYKNDGUQDUHM-UHFFFAOYSA-N |
Molecular Weight |
331.544 g/mol |
SMILES |
C(NCCCCCCCCCCCC)(=O)C1=CC=C(CCC)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943063 |