SpectraBase Spectrum ID |
LTufGzXm6AT |
Name |
Benzamide, 4-(tert-butyl)-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/c1-6-7-8-9-14(2)19-17(20)15-10-12-16(13-11-15)18(3,4)5/h10-14H,6-9H2,1-5H3,(H,19,20) |
InChIKey |
MMRJRBANKMBUBS-UHFFFAOYSA-N |
SMILES |
C(=O)(NC(CCCCC)C)C=1C=CC(=CC1)C(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970821 |