SpectraBase Spectrum ID |
INYx5svb4tN |
Name |
Benzamide, 4-(tert-butyl)-N-undecyl- |
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/c1-5-6-7-8-9-10-11-12-13-18-23-21(24)19-14-16-20(17-15-19)22(2,3)4/h14-17H,5-13,18H2,1-4H3,(H,23,24) |
InChIKey |
NQHWRKTZBFQCDP-UHFFFAOYSA-N |
Molecular Weight |
331.544 g/mol |
SMILES |
C(=O)(NCCCCCCCCCCC)C=1C=CC(=CC1)C(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897191 |