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(E)-1-(4-methoxyphenyl)-4,4-dimethyl-1-penten-3-one

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

(E)-1-(4-methoxyphenyl)-4,4-dimethyl-1-penten-3-one
SpectraBase Compound ID 93Li6Kr8VW
InChI InChI=1S/C14H18O2/c1-14(2,3)13(15)10-7-11-5-8-12(16-4)9-6-11/h5-10H,1-4H3/b10-7+
InChIKey PZWWXCPIPRJHNG-JXMROGBWSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KL1bbcZxtnd
Name (E)-1-(4-Methoxyphenyl)-4,4-dimethyl-1-penten-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.130679818 u
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-14(2,3)13(15)10-7-11-5-8-12(16-4)9-6-11/h5-10H,1-4H3/b10-7+
InChIKey PZWWXCPIPRJHNG-JXMROGBWSA-N
Molecular Weight 218.296 g/mol
SMILES C(\C=C\C=1C=CC(=CC1)OC)(C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950372