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2,6,6-Triphenyl-8-acetyl-2-octen-4-yne

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

2,6,6-Triphenyl-8-acetyl-2-octen-4-yne
SpectraBase Compound ID 8bvPTs5lRa8
InChI InChI=1S/C28H26O/c1-23(25-14-6-3-7-15-25)13-12-21-28(22-20-24(2)29,26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,13-19H,20,22H2,1-2H3/b23-13+
InChIKey CSVHFSPWSFQHDA-YDZHTSKRSA-N
Mol Weight 378.52 g/mol
Molecular Formula C28H26O
Exact Mass 378.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7EQBqpARQgr
Name 2,6,6-Triphenyl-8-acetyl-2-octen-4-yne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.198365456 u
Formula C28H26O
InChI InChI=1S/C28H26O/c1-23(25-14-6-3-7-15-25)13-12-21-28(22-20-24(2)29,26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,13-19H,20,22H2,1-2H3/b23-13+
InChIKey CSVHFSPWSFQHDA-YDZHTSKRSA-N
Molecular Weight 378.515 g/mol
SMILES C(C#C\C=C\(C=1C=CC=CC1)C)(CCC(=O)C)(C=1C=CC=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881232