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(1S*,5S*)-ethyl 1-ethyl-3-hydroxy-4-methyl-2-oxo-5-phenylcyclopent-3-enecarboxylate
SpectraBase Compound ID G74UV8CtVCV
InChI InChI=1S/C17H20O4/c1-4-17(16(20)21-5-2)13(11(3)14(18)15(17)19)12-9-7-6-8-10-12/h6-10,13,18H,4-5H2,1-3H3/t13-,17+/m1/s1
InChIKey QCKUAWKFZDPQDP-DYVFJYSZSA-N
Mol Weight 288.34 g/mol
Molecular Formula C17H20O4
Exact Mass 288.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hhl8kfvResK
Name (1S*,5S*)-ethyl 1-ethyl-3-hydroxy-4-methyl-2-oxo-5-phenylcyclopent-3-enecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O4
InChI InChI=1S/C17H20O4/c1-4-17(16(20)21-5-2)13(11(3)14(18)15(17)19)12-9-7-6-8-10-12/h6-10,13,18H,4-5H2,1-3H3/t13-,17+/m1/s1
InChIKey QCKUAWKFZDPQDP-DYVFJYSZSA-N
Literature Reference DOI 10.1002/anie.201201724
Molecular Weight 288.343 g/mol
SMILES OC1=C([C@](c2ccccc2)([C@@](C(OCC)=O)(CC)C1=O)[H])C
SPLASH splash10-00kv-0980000000-ac1f3b1feb2045ebcc81
Source of Spectrum ACI-51-SMS23-7
Synonyms Ethyl (1S,5S)-1-ethyl-3-hydroxy-4-methyl-2-oxo-5-phenylcyclopent-3-ene-1-carboxylate
Wiley ID 1780306