| SpectraBase Spectrum ID |
75h7v7ANfZs |
| Name |
Hexanamide, 3-ethenyl-2-methyl-N-phenyl-, (R*,S*)- |
| 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/c1-4-9-13(5-2)12(3)15(17)16-14-10-7-6-8-11-14/h5-8,10-13H,2,4,9H2,1,3H3,(H,16,17)/t12-,13-/m0/s1 |
| InChIKey |
HPGMZDCHIYZODR-STQMWFEESA-N |
| Molecular Weight |
231.339 g/mol |
| SMILES |
C(NC1=CC=CC=C1)([C@]([C@@](C=C)(CCC)[H])(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888741 |
