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(E)-3-Acetoxymethyl-4-(2'-methoxyphenyl)-3-buten-2-one

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

(E)-3-Acetoxymethyl-4-(2'-methoxyphenyl)-3-buten-2-one
SpectraBase Compound ID LwHXkeEVwiM
InChI InChI=1S/C14H16O4/c1-10(15)13(9-18-11(2)16)8-12-6-4-5-7-14(12)17-3/h4-8H,9H2,1-3H3/b13-8+
InChIKey PWDUHDWRBCFVRA-MDWZMJQESA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IXXNdHHTIC4
Name (E)-3-Acetoxymethyl-4-(2'-methoxyphenyl)-3-buten-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.104858991 u
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-10(15)13(9-18-11(2)16)8-12-6-4-5-7-14(12)17-3/h4-8H,9H2,1-3H3/b13-8+
InChIKey PWDUHDWRBCFVRA-MDWZMJQESA-N
Molecular Weight 248.278 g/mol
SMILES CC(\C(=C\C1=CC=CC=C1OC)COC(=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924244