| SpectraBase Spectrum ID |
LXDdiYDktDH |
| Name |
3-me-4-ma N-(4-Toluyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.172878983 u |
| Formula |
C19H23NO2 |
| InChI |
InChI=1S/C19H23NO2/c1-13-5-8-17(9-6-13)19(21)20-15(3)12-16-7-10-18(22-4)14(2)11-16/h5-11,15H,12H2,1-4H3,(H,20,21) |
| InChIKey |
QUYGFPCNTGNMFS-UHFFFAOYSA-N |
| SMILES |
C(C=1C=CC(=CC1)C)(NC(CC1=CC(=C(C=C1)OC)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895542 |
