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methyl 4-(4-methoxyphenyl)-3-methyl-4-oxo-2-styryl-but-2-enoate
SpectraBase Compound ID 14rWn2bqmMj
InChI InChI=1S/C21H20O4/c1-15(20(22)17-10-12-18(24-2)13-11-17)19(21(23)25-3)14-9-16-7-5-4-6-8-16/h4-14H,1-3H3
InChIKey TUHSELNLAXYLNY-UHFFFAOYSA-N
Mol Weight 336.39 g/mol
Molecular Formula C21H20O4
Exact Mass 336.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHh8gLhrpAd
Name methyl 4-(4-methoxyphenyl)-3-methyl-4-oxo-2-styryl-but-2-enoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O4
InChI InChI=1S/C21H20O4/c1-15(20(22)17-10-12-18(24-2)13-11-17)19(21(23)25-3)14-9-16-7-5-4-6-8-16/h4-14H,1-3H3
InChIKey TUHSELNLAXYLNY-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201611625
Molecular Weight 336.387 g/mol
Quality 85
Reported Formula C21H20O4
SMILES C(=CC(=C(C)C(C1=CC=C(C=C1)OC)=O)C(OC)=O)C1=CC=CC=C1
SPLASH splash10-004i-1390000000-73c71221c451aff02d3c
Sample Comments Z/E = 1.2:1
Source of Spectrum ACI-56-SM18-5l (DOI: 10.1002/anie.201611625)
Wiley ID 1892922