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1,4-bis(p-Chlorophenoxy)-2-butyne

View entire compound with spectra: 2 NMR, 2 FTIR, and 1 Raman

1,4-bis(p-Chlorophenoxy)-2-butyne
SpectraBase Compound ID GBShGAX4T98
InChI InChI=1S/C16H12Cl2O2/c17-13-3-7-15(8-4-13)19-11-1-2-12-20-16-9-5-14(18)6-10-16/h3-10H,11-12H2
InChIKey GBSLKSNADZFUGJ-UHFFFAOYSA-N
Mol Weight 307.18 g/mol
Molecular Formula C16H12Cl2O2
Exact Mass 306.021435 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9wJy9CGFEgz
Name 1,4-bis(p-Chlorophenoxy)-2-butyne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.021435024 u
Formula C16H12Cl2O2
InChI InChI=1S/C16H12Cl2O2/c17-13-3-7-15(8-4-13)19-11-1-2-12-20-16-9-5-14(18)6-10-16/h3-10H,11-12H2
InChIKey GBSLKSNADZFUGJ-UHFFFAOYSA-N
Molecular Weight 307.176 g/mol
SMILES C=1C(=CC=C(C1)Cl)OCC#CCOC=1C=CC(=CC1)Cl
Spectrum/Structure Validation Score (Raman) 0.944434