For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-(1-Phenylallyl)pentane-2,4-dione

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

3-(1-Phenylallyl)pentane-2,4-dione
SpectraBase Compound ID BtLeTWbgHHX
InChI InChI=1S/C14H16O2/c1-4-13(12-8-6-5-7-9-12)14(10(2)15)11(3)16/h4-9,13-14H,1H2,2-3H3
InChIKey MTKCWFZSCQMHEU-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JWos5mfWjSH
Name 3-(1-Phenylallyl)pentane-2,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.115029753 u
Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-4-13(12-8-6-5-7-9-12)14(10(2)15)11(3)16/h4-9,13-14H,1H2,2-3H3
InChIKey MTKCWFZSCQMHEU-UHFFFAOYSA-N
Molecular Weight 216.280 g/mol
SMILES CC(C(C(C)=O)C(C=C)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881873