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1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne

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

1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne
SpectraBase Compound ID 3MlBbh90Ebb
InChI InChI=1S/C18H20O4/c1-4-5-6-7-8-9-10-11-12-13-18(22-17(3)20)14-15-21-16(2)19/h4-5,10-13,18H,14-15H2,1-3H3/b5-4+,11-10+,13-12+
InChIKey PGHCYQUSYHWJAI-NOPLWHKLSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6rZCTczt1H1
Name 1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.136159120 u
Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-4-5-6-7-8-9-10-11-12-13-18(22-17(3)20)14-15-21-16(2)19/h4-5,10-13,18H,14-15H2,1-3H3/b5-4+,11-10+,13-12+
InChIKey PGHCYQUSYHWJAI-NOPLWHKLSA-N
Molecular Weight 300.354 g/mol
SMILES C\C=C\C#CC#C\C=C\C=C\C(CCOC(C)=O)OC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844107