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Diinden-2-ylacetylene

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

Diinden-2-ylacetylene
SpectraBase Compound ID 1sa4SXMq6VV
InChI InChI=1S/C20H14/c1-2-6-18-12-15(11-17(18)5-1)9-10-16-13-19-7-3-4-8-20(19)14-16/h1-8,11,13H,12,14H2
InChIKey HBBQJNMZLVFSMT-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C20H14
Exact Mass 254.10955 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3SNwQ7FfEzW
Name Diinden-2-ylacetylene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.109550451 u
Formula C20H14
InChI InChI=1S/C20H14/c1-2-6-18-12-15(11-17(18)5-1)9-10-16-13-19-7-3-4-8-20(19)14-16/h1-8,11,13H,12,14H2
InChIKey HBBQJNMZLVFSMT-UHFFFAOYSA-N
Molecular Weight 254.332 g/mol
SMILES C=12C=CC=CC1CC(=C2)C#CC1=CC=2C=CC=CC2C1
Spectrum/Structure Validation Score (Raman) 0.997093