SpectraBase Spectrum ID |
1EoJLcvfSbK |
Name |
5-Dichloromethyl-1-methyl-3-(4-methoxyphenyl)-2-pyrazoline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
272.048318478 u |
Formula |
C12H14Cl2N2O |
InChI |
InChI=1S/C12H14Cl2N2O/c1-16-11(12(13)14)7-10(15-16)8-3-5-9(17-2)6-4-8/h3-6,11-12H,7H2,1-2H3 |
InChIKey |
SQOJHIJQDMSZCO-UHFFFAOYSA-N |
SMILES |
C1(N(N=C(C1)C1=CC=C(C=C1)OC)C)C(Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944927 |