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Phenylpropargyl-.beta.-phenylpropionate

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Phenylpropargyl-.beta.-phenylpropionate
SpectraBase Compound ID DNlQF75NBJL
InChI InChI=1S/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11H,13-15H2
InChIKey OHQQWIYKHZMTGT-UHFFFAOYSA-N
Mol Weight 264.32 g/mol
Molecular Formula C18H16O2
Exact Mass 264.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HH4skPlDHXv
Name Phenylpropargyl-.beta.-phenylpropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.115029753 u
Formula C18H16O2
InChI InChI=1S/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11H,13-15H2
InChIKey OHQQWIYKHZMTGT-UHFFFAOYSA-N
Molecular Weight 264.324 g/mol
SMILES C1=C(C=CC=C1)CCC(OCC#CC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936042