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(E)-Methyl 4-(3-(3-ethoxy-3-oxoprop-1-enyloxy)pent-1-ynyl)-benzoate
SpectraBase Compound ID Fd6B6x0IEiS
InChI InChI=1S/C18H20O5/c1-4-16(23-13-12-17(19)22-5-2)11-8-14-6-9-15(10-7-14)18(20)21-3/h6-7,9-10,12-13,16H,4-5H2,1-3H3/b13-12+
InChIKey OPWZOTHWBKBDDX-OUKQBFOZSA-N
Mol Weight 316.35 g/mol
Molecular Formula C18H20O5
Exact Mass 316.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjrhZ9tazcu
Name (E)-Methyl 4-(3-(3-ethoxy-3-oxoprop-1-enyloxy)pent-1-ynyl)-benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O5
InChI InChI=1S/C18H20O5/c1-4-16(23-13-12-17(19)22-5-2)11-8-14-6-9-15(10-7-14)18(20)21-3/h6-7,9-10,12-13,16H,4-5H2,1-3H3/b13-12+
InChIKey OPWZOTHWBKBDDX-OUKQBFOZSA-N
Literature Reference DOI 10.1021/jo102545m
Molecular Weight 316.353 g/mol
SMILES C(C#Cc1ccc(cc1)C(=O)OC)(CC)O\C=C\C(OCC)=O
SPLASH splash10-0udl-1590000000-37b477ee614b15660a49
Source of Spectrum J-76-2150-2h
Synonyms (E)-methyl 4-(3-((3-ethoxy-3-oxoprop-1-en-1-yl)oxy)pent-1-yn-1-yl)benzoate 4-[3-[(E)-3-ethoxy-3-oxoprop-1-enoxy]pent-1-ynyl]benzoic acid methyl ester Methyl 4-[3-[(E)-3-ethoxy-3-oxoprop-1-enoxy]pent-1-ynyl]benzoate Methyl 4-[3-[(E)-3-ethoxy-3-oxo-prop-1-enoxy]pent-1-ynyl]benzoate Methyl 4-[3-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enoxy]pent-1-ynyl]benzoate
Wiley ID 1744716