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[(3E,9E)-12-phenyldodeca-3,9-dien-5,7-diynyl]benzene

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

[(3E,9E)-12-phenyldodeca-3,9-dien-5,7-diynyl]benzene
SpectraBase Compound ID KMFTbEqGyKJ
InChI InChI=1S/C24H22/c1(3-5-7-11-17-23-19-13-9-14-20-23)2-4-6-8-12-18-24-21-15-10-16-22-24/h5-10,13-16,19-22H,11-12,17-18H2/b7-5+,8-6+
InChIKey HUGMKWFKXKAVEF-KQQUZDAGSA-N
Mol Weight 310.44 g/mol
Molecular Formula C24H22
Exact Mass 310.172151 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FT8FG8P2mvq
Name [(3E,9E)-12-Phenyldodeca-3,9-dien-5,7-diynyl]benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.172150708 u
Formula C24H22
InChI InChI=1S/C24H22/c1(3-5-7-11-17-23-19-13-9-14-20-23)2-4-6-8-12-18-24-21-15-10-16-22-24/h5-10,13-16,19-22H,11-12,17-18H2/b7-5+,8-6+
InChIKey HUGMKWFKXKAVEF-KQQUZDAGSA-N
SMILES C(C#C\C=C\CCC1=CC=CC=C1)#C\C=C\CCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967355