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(3S,4S)-4-[1-(4-Acetylphenyl)ethenyl]-3-hydroxy-1,1-cyclopentanedicarboxylic acid diethyl ester
SpectraBase Compound ID JGNlsluvVEw
InChI InChI=1S/C21H26O6/c1-5-26-19(24)21(20(25)27-6-2)11-17(18(23)12-21)13(3)15-7-9-16(10-8-15)14(4)22/h7-10,17-18,23H,3,5-6,11-12H2,1-2,4H3/t17-,18-/m0/s1
InChIKey WPGHGGQJUBLSBS-ROUUACIJSA-N
Mol Weight 374.43 g/mol
Molecular Formula C21H26O6
Exact Mass 374.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jLYw8zTjzZ
Name (3S,4S)-4-[1-(4-Acetylphenyl)ethenyl]-3-hydroxy-1,1-cyclopentanedicarboxylic acid diethyl ester
Alternate Name(s) (3S,4S)-diethyl 3-(1-(4-acetylphenyl)vinyl)-4-hydroxycyclopentane-1,1-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O6
InChI InChI=1S/C21H26O6/c1-5-26-19(24)21(20(25)27-6-2)11-17(18(23)12-21)13(3)15-7-9-16(10-8-15)14(4)22/h7-10,17-18,23H,3,5-6,11-12H2,1-2,4H3/t17-,18-/m0/s1
InChIKey WPGHGGQJUBLSBS-ROUUACIJSA-N
Literature Reference DOI 10.1021/ol702966j
Molecular Weight 374.433 g/mol
SMILES O[C@]1(CC(C(OCC)=O)(C[C@]1(C(c1ccc(cc1)C(=O)C)=C)[H])C(=O)OCC)[H]
SPLASH splash10-00di-2913000000-7d5dbc5368179e96b7a3
Source of Spectrum A1-10-1047/SMS31-2dB
Wiley ID 1759114