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1-[2'-(3''-Phenylprop-1''-ynyl)-phenyl]-prop-2-en-1-ol

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

1-[2'-(3''-Phenylprop-1''-ynyl)-phenyl]-prop-2-en-1-ol
SpectraBase Compound ID 7ujtaRLEyxL
InChI InChI=1S/C18H16O/c1-2-18(19)17-14-7-6-12-16(17)13-8-11-15-9-4-3-5-10-15/h2-7,9-10,12,14,18-19H,1,11H2
InChIKey OTJAFXGJWCUOQW-UHFFFAOYSA-N
Mol Weight 248.32 g/mol
Molecular Formula C18H16O
Exact Mass 248.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FY7RjLCUIgo
Name 1-[2'-(3''-Phenylprop-1''-ynyl)-phenyl]-prop-2-en-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.120115134 u
Formula C18H16O
InChI InChI=1S/C18H16O/c1-2-18(19)17-14-7-6-12-16(17)13-8-11-15-9-4-3-5-10-15/h2-7,9-10,12,14,18-19H,1,11H2
InChIKey OTJAFXGJWCUOQW-UHFFFAOYSA-N
Molecular Weight 248.325 g/mol
SMILES C(O)(C1=C(C#CCC2=CC=CC=C2)C=CC=C1)C=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840466