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Dimethyl (E)-2-(4-chloro-1,5-diphenylpent-3-en-2-yl)malonate
SpectraBase Compound ID J9WXbraayWV
InChI InChI=1S/C22H23ClO4/c1-26-21(24)20(22(25)27-2)18(13-16-9-5-3-6-10-16)15-19(23)14-17-11-7-4-8-12-17/h3-12,15,18,20H,13-14H2,1-2H3/b19-15+
InChIKey OJMRKUFPQHAPOE-XDJHFCHBSA-N
Mol Weight 386.88 g/mol
Molecular Formula C22H23ClO4
Exact Mass 386.128487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNeOF0gRIiu
Name Dimethyl (E)-2-(4-chloro-1,5-diphenylpent-3-en-2-yl)malonate
Appearance Colorless thick oil
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Exact Mass 386.128486917 u
Formula C22H23ClO4
InChI InChI=1S/C22H23ClO4/c1-26-21(24)20(22(25)27-2)18(13-16-9-5-3-6-10-16)15-19(23)14-17-11-7-4-8-12-17/h3-12,15,18,20H,13-14H2,1-2H3/b19-15+
InChIKey OJMRKUFPQHAPOE-XDJHFCHBSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201803541
Molecular Weight 386.875 g/mol
Quality 198
Reported Formula C22H23ClO4
SMILES COC(C(C(=O)OC)C(\C=C/(CC1=CC=CC=C1)Cl)CC1=CC=CC=C1)=O
SPLASH splash10-0udl-6590000000-fe509579ee7a3fd86256
Source of Spectrum ACI-57-SM9-6c (DOI: 10.1002/anie.201803541)
Wiley ID 1893182