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1,6-Bis(4-methoxycarbonylphenoxy)hexa-2,4-diyne

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

1,6-Bis(4-methoxycarbonylphenoxy)hexa-2,4-diyne
SpectraBase Compound ID 3PBDyNWYxGZ
InChI InChI=1S/C22H18O6/c1-25-21(23)17-7-11-19(12-8-17)27-15-5-3-4-6-16-28-20-13-9-18(10-14-20)22(24)26-2/h7-14H,15-16H2,1-2H3
InChIKey ZGHHSOCNAHPSRG-UHFFFAOYSA-N
Mol Weight 378.38 g/mol
Molecular Formula C22H18O6
Exact Mass 378.110338 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Gv1VmREWSzn
Name 1,6-bis(4-Methoxycarbonylphenoxy)hexa-2,4-diyne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.110338294 u
Formula C22H18O6
InChI InChI=1S/C22H18O6/c1-25-21(23)17-7-11-19(12-8-17)27-15-5-3-4-6-16-28-20-13-9-18(10-14-20)22(24)26-2/h7-14H,15-16H2,1-2H3
InChIKey ZGHHSOCNAHPSRG-UHFFFAOYSA-N
Molecular Weight 378.380 g/mol
SMILES C(C#CC#CCOC=1C=CC(=CC1)C(=O)OC)OC=1C=CC(=CC1)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970542