| SpectraBase Spectrum ID |
CIvc0U04h9p |
| Name |
4'-o-Methyl-sceletone P643 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.141578854 u |
| Formula |
C16H19NO2 |
| InChI |
InChI=1S/C16H19NO2/c1-17-10-9-16(8-7-13(18)11-15(16)17)12-3-5-14(19-2)6-4-12/h3-8,15H,9-11H2,1-2H3 |
| InChIKey |
CJFZJWKORSTYPX-UHFFFAOYSA-N |
| Molecular Weight |
257.333 g/mol |
| SMILES |
C1C2N(CCC2(C2=CC=C(C=C2)OC)C=CC1=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916441 |
