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Dimethyl (E)-2-(4-chloro-1-phenylnon-3-en-2-yl)malonate
SpectraBase Compound ID 5LPmNr9ne1q
InChI InChI=1S/C20H27ClO4/c1-4-5-7-12-17(21)14-16(13-15-10-8-6-9-11-15)18(19(22)24-2)20(23)25-3/h6,8-11,14,16,18H,4-5,7,12-13H2,1-3H3/b17-14+
InChIKey ZKRRZZAWBBLLHF-SAPNQHFASA-N
Mol Weight 366.89 g/mol
Molecular Formula C20H27ClO4
Exact Mass 366.159787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnDfVGBXzjM
Name Dimethyl (E)-2-(4-chloro-1-phenylnon-3-en-2-yl)malonate
Appearance Colorless thick oil
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Exact Mass 366.159787045 u
Formula C20H27ClO4
InChI InChI=1S/C20H27ClO4/c1-4-5-7-12-17(21)14-16(13-15-10-8-6-9-11-15)18(19(22)24-2)20(23)25-3/h6,8-11,14,16,18H,4-5,7,12-13H2,1-3H3/b17-14+
InChIKey ZKRRZZAWBBLLHF-SAPNQHFASA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201803541
Molecular Weight 366.885 g/mol
Quality 128
Reported Formula C20H27ClO4
SMILES COC(C(C(=O)OC)C(\C=C/(CCCCC)Cl)CC1=CC=CC=C1)=O
SPLASH splash10-0006-9520000000-472d18ad25ccbf4efcd9
Source of Spectrum ACI-57-SM8-6b (DOI: 10.1002/anie.201803541)
Wiley ID 1893181