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1,3-Dipropynoxy-4-chloro-6-cyanobenzene

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1,3-Dipropynoxy-4-chloro-6-cyanobenzene
SpectraBase Compound ID Lu8RYuW5B8V
InChI InChI=1S/C13H8ClNO2/c1-3-5-16-12-8-13(17-6-4-2)11(14)7-10(12)9-15/h7-8H,1-2H3
InChIKey YWRHZTAJZBSLDN-UHFFFAOYSA-N
Mol Weight 245.66 g/mol
Molecular Formula C13H8ClNO2
Exact Mass 245.024356 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7zK9BBGyuuA
Name 1,3-Dipropynoxy-4-chloro-6-cyanobenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.024356200 u
Formula C13H8ClNO2
InChI InChI=1S/C13H8ClNO2/c1-3-5-16-12-8-13(17-6-4-2)11(14)7-10(12)9-15/h7-8H,1-2H3
InChIKey YWRHZTAJZBSLDN-UHFFFAOYSA-N
Molecular Weight 245.665 g/mol
SMILES C1(=CC(=C(C=C1C#N)Cl)OC#CC)OC#CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938496