| SpectraBase Spectrum ID |
Dtl177z8TEU |
| Name |
N-[(E,1R,4R)-1-Methyl-4-methylol-oct-2-enyl]benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.188529047 u |
| Formula |
C17H25NO2 |
| InChI |
InChI=1S/C17H25NO2/c1-3-4-8-15(13-19)12-11-14(2)18-17(20)16-9-6-5-7-10-16/h5-7,9-12,14-15,19H,3-4,8,13H2,1-2H3,(H,18,20)/b12-11+/t14-,15-/m1/s1 |
| InChIKey |
XYNBRNBPOOCFKW-KPWZGGAESA-N |
| Molecular Weight |
275.392 g/mol |
| SMILES |
C(N[C@@](\C=C\[C@](CO)(CCCC)[H])(C)[H])(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892443 |
![N-[(E,1R,4R)-1-methyl-4-methylol-oct-2-enyl]benzamide](/api/spectrum/Dtl177z8TEU/structure.png?h=300&w=458 "N-[(E,1R,4R)-1-methyl-4-methylol-oct-2-enyl]benzamide")
