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Ethyl cis-2-(4-methoxyphenyl)-1-((Z)-3-methyl-4-oxopent-2-en-2-yl)cyclopropane-1-carboxylate
SpectraBase Compound ID 1lUDgOME8m
InChI InChI=1S/C19H24O4/c1-6-23-18(21)19(13(3)12(2)14(4)20)11-17(19)15-7-9-16(22-5)10-8-15/h7-10,17H,6,11H2,1-5H3/b13-12-/t17-,19+/m0/s1
InChIKey TUQKNJFCCILFKM-FUTJEICRSA-N
Mol Weight 316.4 g/mol
Molecular Formula C19H24O4
Exact Mass 316.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kDhLoj4vPY
Name Ethyl cis-2-(4-methoxyphenyl)-1-((Z)-3-methyl-4-oxopent-2-en-2-yl)cyclopropane-1-carboxylate
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.167459249 u
Formula C19H24O4
InChI InChI=1S/C19H24O4/c1-6-23-18(21)19(13(3)12(2)14(4)20)11-17(19)15-7-9-16(22-5)10-8-15/h7-10,17H,6,11H2,1-5H3/b13-12-/t17-,19+/m0/s1
InChIKey TUQKNJFCCILFKM-FUTJEICRSA-N
Instrument Name Shimadzu GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1021/jacs.2c02258
Molecular Weight 316.397 g/mol
Optical Rotation [a]D20 = -9.9 (c = 1.0, CHCl3)
Quality 165
SMILES [C@]1([C@@](C1)(C1=CC=C(C=C1)OC)[H])(\C(C)=C\(C)C(C)=O)C(OCC)=O
SPLASH splash10-001j-0920000000-03958e55acf6f3e8be60
Source of Spectrum C-144-SM42-cis-3au (DOI: 10.1021/jacs.2c02258)
Wiley ID 1910655