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(E)-1-phenyl-6-acetoxy-4-hexen-1-yne

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(E)-1-phenyl-6-acetoxy-4-hexen-1-yne
SpectraBase Compound ID 1Xkkuc103sB
InChI InChI=1S/C14H14O2/c1-13(15)16-12-8-3-2-5-9-14-10-6-4-7-11-14/h3-4,6-8,10-11H,2,12H2,1H3/b8-3+
InChIKey SXYMQTGZKURFTO-FPYGCLRLSA-N
Mol Weight 214.26 g/mol
Molecular Formula C14H14O2
Exact Mass 214.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2hxvxX5vOqk
Name (E)-1-Phenyl-6-acetoxy-4-hexen-1-yne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.099379689 u
Formula C14H14O2
InChI InChI=1S/C14H14O2/c1-13(15)16-12-8-3-2-5-9-14-10-6-4-7-11-14/h3-4,6-8,10-11H,2,12H2,1H3/b8-3+
InChIKey SXYMQTGZKURFTO-FPYGCLRLSA-N
Molecular Weight 214.264 g/mol
SMILES C(#CC\C=C\COC(=O)C)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.819045