SpectraBase Spectrum ID |
8culToX4Xfg |
Name |
2-Benzyloxy-5-methoxyphenylacetonitrile |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
253.110278725 u |
Formula |
C16H15NO2 |
InChI |
InChI=1S/C16H15NO2/c1-18-15-7-8-16(14(11-15)9-10-17)19-12-13-5-3-2-4-6-13/h2-8,11H,9,12H2,1H3 |
InChIKey |
MRUFGESZFUAVAR-UHFFFAOYSA-N |
Molecular Weight |
253.301 g/mol |
SMILES |
C(#N)CC=1C(OCC=2C=CC=CC2)=CC=C(C1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946416 |