SpectraBase Spectrum ID |
DWHbVqTNvg5 |
Name |
Propanenitrile, 3-(2-methylphenoxy)-,; propionitrile, 3-(o-tolyloxy)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
161.084063977 u |
Formula |
C10H11NO |
InChI |
InChI=1S/C10H11NO/c1-9-5-2-3-6-10(9)12-8-4-7-11/h2-3,5-6H,4,8H2,1H3 |
InChIKey |
QNJKMBLSQHRIRU-UHFFFAOYSA-N |
Molecular Weight |
161.204 g/mol |
SMILES |
C1=C(C(=CC=C1)C)OCCC#N |
Spectrum/Structure Validation Score (Raman) |
0.963678 |