SpectraBase Spectrum ID |
7woEyJ3Aa70 |
Name |
alpha-(3,5-Dichlorosalicylidene)-1-naphthaleneacetonitrile |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
339.021769377 u |
Formula |
C19H11Cl2NO |
InChI |
InChI=1S/C19H11Cl2NO/c20-15-9-13(19(23)18(21)10-15)8-14(11-22)17-7-3-5-12-4-1-2-6-16(12)17/h1-10,23H |
InChIKey |
GEZFMAGPAWVSLO-UHFFFAOYSA-N |
Molecular Weight |
340.209 g/mol |
SMILES |
OC1=C(C=C(C=C1C=C(C1=CC=CC=2C=CC=CC12)C#N)Cl)Cl |
Spectrum/Structure Validation Score (Raman) |
0.746113 |