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(E)-Methyl 4-(4-methoxyphenyl)-2-butenoate

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

(E)-Methyl 4-(4-methoxyphenyl)-2-butenoate
SpectraBase Compound ID 3zigW1FxAc
InChI InChI=1S/C12H14O3/c1-14-11-8-6-10(7-9-11)4-3-5-12(13)15-2/h3,5-9H,4H2,1-2H3/b5-3+
InChIKey DDMFLDILYVCMIW-HWKANZROSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EFbpPrs5tZO
Name (E)-Methyl 4-(4-methoxyphenyl)-2-butenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.094294308 u
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-14-11-8-6-10(7-9-11)4-3-5-12(13)15-2/h3,5-9H,4H2,1-2H3/b5-3+
InChIKey DDMFLDILYVCMIW-HWKANZROSA-N
Molecular Weight 206.241 g/mol
SMILES C=1C=C(C=CC1OC)C\C=C\C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899307