| SpectraBase Spectrum ID |
EwlCBxG0bMF |
| Name |
N-(4-(1-Cyanopropan-2-yl)phenyl)acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
202.110613078 u |
| Formula |
C12H14N2O |
| InChI |
InChI=1S/C12H14N2O/c1-9(7-8-13)11-3-5-12(6-4-11)14-10(2)15/h3-6,9H,7H2,1-2H3,(H,14,15) |
| InChIKey |
VOIQVRFHGROKIH-UHFFFAOYSA-N |
| Molecular Weight |
202.257 g/mol |
| SMILES |
C=1C=C(C=CC1NC(C)=O)C(CC#N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890671 |
