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SYN-METHYL-5-(2-BENZENESULFONYLMETHYL-5-OXO-1-CYCLOPENTENYL)-3,4-DIDEUTERIOPENTANOATE
SpectraBase Compound ID K3BUIpMYcpt
InChI InChI=1S/C18H22O5S/c1-23-18(20)10-6-5-9-16-14(11-12-17(16)19)13-24(21,22)15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3/i5D,6D/t5-,6-/m1/s1
InChIKey BRCKMOYUFQIIEA-TZYORUCZSA-N
Mol Weight 352.44 g/mol
Molecular Formula C18H202H2O5S
Exact Mass 352.131348 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kdy5lLZCKW1
Name SYN-METHYL-5-(2-BENZENESULFONYLMETHYL-5-OXO-1-CYCLOPENTENYL)-3,4-DIDEUTERIOPENTANOATE
Compound Number 4-3,4-D2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H202H2O5S
InChI InChI=1S/C18H22O5S/c1-23-18(20)10-6-5-9-16-14(11-12-17(16)19)13-24(21,22)15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3/i5D,6D/t5-,6-/m1/s1
InChIKey BRCKMOYUFQIIEA-TZYORUCZSA-N
Literature Reference Author H.QIAN,R.A.WIDENHOEFER
Literature Reference Citation J.AM.CHEM.SOC.,125,2056(2003)
Literature Reference DOI 10.1021/ja0293002
Molecular Weight 352.442 g/mol
Sample ID 40615
Solvent CDCl3