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(S)-(+)-1-Ethyl 5-methyl 4-ethyl-4-phenylglutaconate
SpectraBase Compound ID KG2yUTHJ4VU
InChI InChI=1S/C16H20O4/c1-4-16(15(18)19-3,12-11-14(17)20-5-2)13-9-7-6-8-10-13/h6-12H,4-5H2,1-3H3/b12-11+/t16-/m0/s1
InChIKey NHRKNGMIYPSJBI-PCUGXKRQSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iy8WGEws6H7
Name (S)-(+)-1-Ethyl 5-methyl 4-ethyl-4-phenylglutaconate
Alternate Name(s) 1-Ethyl 5-methyl (2E,4S)-4-ethyl-4-phenyl-2-pentenedioate (E,4S)-4-ethyl-4-phenyl-2-pentenedioic acid O1-ethyl ester O5-methyl ester 1-O-ethyl 5-O-methyl (E,4S)-4-ethyl-4-phenylpent-2-enedioate O1-ethyl O5-methyl (E,4S)-4-ethyl-4-phenyl-pent-2-enedioate
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Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-4-16(15(18)19-3,12-11-14(17)20-5-2)13-9-7-6-8-10-13/h6-12H,4-5H2,1-3H3/b12-11+/t16-/m0/s1
InChIKey NHRKNGMIYPSJBI-PCUGXKRQSA-N
Molecular Weight 276.332 g/mol
SMILES [C@](\C=C\C(=O)OCC)(C(=O)OC)(c1ccccc1)CC
SPLASH splash10-0006-1930000000-c9d89abe7d4be55f43d1
Source of Spectrum QC-7-1164-12
Wiley ID 869300