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(3S,4S)-3-Isopropoxy-4-methyl-5-oxo-2-phenyl-3-vinylcyclopent-1-enyl 4-chlorobenzoate
SpectraBase Compound ID AZWoTlSJLFR
InChI InChI=1S/C24H23ClO4/c1-5-24(29-15(2)3)16(4)21(26)22(20(24)17-9-7-6-8-10-17)28-23(27)18-11-13-19(25)14-12-18/h5-16H,1H2,2-4H3/t16-,24+/m1/s1
InChIKey IQUAJMDVXSAUGF-GYCJOSAFSA-N
Mol Weight 410.9 g/mol
Molecular Formula C24H23ClO4
Exact Mass 410.128487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HhMobX1sVjM
Name (3S,4S)-3-Isopropoxy-4-methyl-5-oxo-2-phenyl-3-vinylcyclopent-1-enyl 4-Chlorobenzoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H23ClO4
InChI InChI=1S/C24H23ClO4/c1-5-24(29-15(2)3)16(4)21(26)22(20(24)17-9-7-6-8-10-17)28-23(27)18-11-13-19(25)14-12-18/h5-16H,1H2,2-4H3/t16-,24+/m1/s1
InChIKey IQUAJMDVXSAUGF-GYCJOSAFSA-N
Literature Reference DOI 10.1021/jo300806y
Molecular Weight 410.897 g/mol
SMILES [C@]1(C(C(=C(c2ccccc2)[C@]1(OC(C)C)C=C)OC(=O)c1ccc(cc1)Cl)=O)([H])C
SPLASH splash10-000i-0900000000-2a8742f67bae3d593aaf
Source of Spectrum J-77-6330-14b
Synonyms (3S,4S)-3-isopropoxy-4-methyl-5-oxo-2-phenyl-3-vinylcyclopent-1-en-1-yl 4-chlorobenzoate 4-Chlorobenzoic acid [(3S,4S)-3-ethenyl-4-methyl-5-oxo-2-phenyl-3-propan-2-yloxy-1-cyclopentenyl] ester [(3S,4S)-3-ethenyl-4-methyl-5-oxo-2-phenyl-3-propan-2-yloxycyclopenten-1-yl] 4-chlorobenzoate [(3S,4S)-3-isopropoxy-4-methyl-5-oxo-2-phenyl-3-vinyl-cyclopenten-1-yl] 4-chlorobenzoate [(3S,4S)-3-ethenyl-4-methyl-5-oxidanylidene-2-phenyl-3-propan-2-yloxy-cyclopenten-1-yl] 4-chloranylbenzoate
Wiley ID 1745137