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Pentadeca-4-trans,8-trans,10-trans-trien-6-yn-3-one

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

Pentadeca-4-trans,8-trans,10-trans-trien-6-yn-3-one
SpectraBase Compound ID IDs1ktnDBEd
InChI InChI=1S/C15H20O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h7-10,13-14H,3-6H2,1-2H3/b8-7+,10-9+,14-13+
InChIKey PSAWBQXNHNDQIF-GAVHPNJOSA-N
Mol Weight 216.32 g/mol
Molecular Formula C15H20O
Exact Mass 216.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9rv4gcjqTlC
Name Pentadeca-4-trans,8-trans,10-trans-trien-6-yn-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.151415263 u
Formula C15H20O
InChI InChI=1S/C15H20O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h7-10,13-14H,3-6H2,1-2H3/b8-7+,10-9+,14-13+
InChIKey PSAWBQXNHNDQIF-GAVHPNJOSA-N
Molecular Weight 216.324 g/mol
SMILES CCC(\C=C\C#C\C=C\C=C\CCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964854