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(E)-3-(1-phenylbut-2-en-1-yl)pentane-2,4-dione

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

(E)-3-(1-phenylbut-2-en-1-yl)pentane-2,4-dione
SpectraBase Compound ID 8j6MiinNEap
InChI InChI=1S/C15H18O2/c1-4-8-14(13-9-6-5-7-10-13)15(11(2)16)12(3)17/h4-10,14-15H,1-3H3/b8-4+
InChIKey IFFYDCBRZRCXRC-XBXARRHUSA-N
Mol Weight 230.31 g/mol
Molecular Formula C15H18O2
Exact Mass 230.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9mnpSggMXGu
Name (E)-3-(1-Phenylbut-2-en-1-yl)pentane-2,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.130679818 u
Formula C15H18O2
InChI InChI=1S/C15H18O2/c1-4-8-14(13-9-6-5-7-10-13)15(11(2)16)12(3)17/h4-10,14-15H,1-3H3/b8-4+
InChIKey IFFYDCBRZRCXRC-XBXARRHUSA-N
Molecular Weight 230.307 g/mol
SMILES C(C(\C=C\C)C1=CC=CC=C1)(C(=O)C)C(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914667