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(1S*,5S*)-ethyl 1-ethyl-3-hydroxy-4-methyl-2-oxo-5-phenylcyclopent-3-enecarboxylate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FALGPUgGE0S
Name (1S*,5S*)-Ethyl 1-ethyl-3-hydroxy-4-methyl-2-oxo-5-phenylcyclopent-3-enecarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.136159120 u
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
SMILES C=1C=C([C@]2(C(=C(O)C(=O)[C@]2(C(OCC)=O)CC)C)[H])C=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.820265