SpectraBase Spectrum ID |
ASqtYZjeO12 |
Name |
(2R)-2-(6-Methoxy-2-naphthalenyl)propanenitrile |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
211.099714042 u |
Formula |
C14H13NO |
InChI |
InChI=1S/C14H13NO/c1-10(9-15)11-3-4-13-8-14(16-2)6-5-12(13)7-11/h3-8,10H,1-2H3/t10-/m0/s1 |
InChIKey |
QAILMFURFUYAJA-JTQLQIEISA-N |
Molecular Weight |
211.264 g/mol |
SMILES |
C(#N)[C@@](C=1C=C2C=CC(=CC2=CC1)OC)(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828856 |