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(1S*,5S*)-ethyl 1-ethyl-3-hydroxy-5-(4-methoxyphenyl)-4-methyl-2-oxocyclopent-3-enecarboxylate
SpectraBase Compound ID 12xI2Tzy9Pl
InChI InChI=1S/C18H22O5/c1-5-18(17(21)23-6-2)14(11(3)15(19)16(18)20)12-7-9-13(22-4)10-8-12/h7-10,14,19H,5-6H2,1-4H3/t14-,18+/m1/s1
InChIKey BQHORGWSCIEFEU-KDOFPFPSSA-N
Mol Weight 318.37 g/mol
Molecular Formula C18H22O5
Exact Mass 318.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xkGKyDuij3
Name (1S*,5S*)-ethyl 1-ethyl-3-hydroxy-5-(4-methoxyphenyl)-4-methyl-2-oxocyclopent-3-enecarboxylate
Alternate Name(s) Ethyl (1S,5S)-1-ethyl-3-hydroxy-5-(4-methoxyphenyl)-4-methyl-2-oxocyclopent-3-ene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O5
InChI InChI=1S/C18H22O5/c1-5-18(17(21)23-6-2)14(11(3)15(19)16(18)20)12-7-9-13(22-4)10-8-12/h7-10,14,19H,5-6H2,1-4H3/t14-,18+/m1/s1
InChIKey BQHORGWSCIEFEU-KDOFPFPSSA-N
Literature Reference DOI 10.1002/anie.201201724
Molecular Weight 318.369 g/mol
SMILES OC=1C(=O)[C@]([C@@](c2ccc(cc2)OC)(C1C)[H])(C(OCC)=O)CC
SPLASH splash10-014l-0579000000-da7e94c8373fdbc8d0ff
Source of Spectrum ACI-51-SMS24-10
Wiley ID 1780299