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

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

(E)-3-(4-phenylbut-3-en-2-yl)pentane-2,4-dione
SpectraBase Compound ID 50POAB9wAgA
InChI InChI=1S/C15H18O2/c1-11(15(12(2)16)13(3)17)9-10-14-7-5-4-6-8-14/h4-11,15H,1-3H3/b10-9+
InChIKey MTNXOZFPYIIWAU-MDZDMXLPSA-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 7vR3aHnhLIS
Name (E)-3-(4-Phenylbut-3-en-2-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/c1-11(15(12(2)16)13(3)17)9-10-14-7-5-4-6-8-14/h4-11,15H,1-3H3/b10-9+
InChIKey MTNXOZFPYIIWAU-MDZDMXLPSA-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) 0.955619