SpectraBase Spectrum ID |
JgHE3MB2Fur |
Name |
N-(3,3-Dimethylcyclohexyl)benzamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
231.162314299 u |
Formula |
C15H21NO |
InChI |
InChI=1S/C15H21NO/c1-15(2)10-6-9-13(11-15)16-14(17)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,16,17) |
InChIKey |
FUKRWSDUGIMQIF-UHFFFAOYSA-N |
Molecular Weight |
231.339 g/mol |
SMILES |
N(C(C=1C=CC=CC1)=O)C1CCCC(C1)(C)C |
Spectrum/Structure Validation Score (Raman) |
0.9921 |