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2,3-Di(dec-1-yn-1-yl)-1H-inden-1-one

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

2,3-Di(dec-1-yn-1-yl)-1H-inden-1-one
SpectraBase Compound ID Eff2bmWRqpe
InChI InChI=1S/C29H38O/c1-3-5-7-9-11-13-15-17-21-25-26-22-19-20-24-28(26)29(30)27(25)23-18-16-14-12-10-8-6-4-2/h19-20,22,24H,3-16H2,1-2H3
InChIKey SBLXLZSRYGYUBA-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C29H38O
Exact Mass 402.292266 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lw9dJHYNXtn
Name 2,3-di(dec-1-yn-1-yl)-1H-Inden-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.292265843 u
Formula C29H38O
InChI InChI=1S/C29H38O/c1-3-5-7-9-11-13-15-17-21-25-26-22-19-20-24-28(26)29(30)27(25)23-18-16-14-12-10-8-6-4-2/h19-20,22,24H,3-16H2,1-2H3
InChIKey SBLXLZSRYGYUBA-UHFFFAOYSA-N
Molecular Weight 402.622 g/mol
SMILES C1(C(=C(C=2C=CC=CC12)C#CCCCCCCCC)C#CCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913