| SpectraBase Spectrum ID |
GgjWByMC64K |
| Name |
N-Benzyl-N-(1-tosylcyclopentylmethyl)acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.171164904 u |
| Formula |
C22H27NO3S |
| InChI |
InChI=1S/C22H27NO3S/c1-18-10-12-21(13-11-18)27(25,26)22(14-6-7-15-22)17-23(19(2)24)16-20-8-4-3-5-9-20/h3-5,8-13H,6-7,14-17H2,1-2H3 |
| InChIKey |
PDEBKZPPZIFFPY-UHFFFAOYSA-N |
| Molecular Weight |
385.522 g/mol |
| SMILES |
C(C)(=O)N(CC1(CCCC1)S(=O)(=O)C=1C=CC(C)=CC1)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805578 |
