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SYN-#4-4,5-D2+#4-4,5,5-D3;SYN-METHYL-5-(2-BENZENESULFONYLMETHYL-5-OXO-1-CYCLOPENTENYL)-4,5-DIDEUTERIOPENTANOATE+METHYL-5-(2-BENZENESULFONYLMETHYL-5-OXO-

View entire compound with spectra: 1 NMR

SYN-#4-4,5-D2+#4-4,5,5-D3;SYN-METHYL-5-(2-BENZENESULFONYLMETHYL-5-OXO-1-CYCLOPENTENYL)-4,5-DIDEUTERIOPENTANOATE+METHYL-5-(2-BENZENESULFONYLMETHYL-5-OXO-
SpectraBase Compound ID L1BaaeJFAJ4
InChI InChI=1S/2C18H22O5S/c2*1-23-18(20)10-6-5-9-16-14(11-12-17(16)19)13-24(21,22)15-7-3-2-4-8-15/h2*2-4,7-8H,5-6,9-13H2,1H3/i5D,9D2;5D,9D/t;5-,9+/m.1/s1
InChIKey XUIBQQRBIVKSAL-WKPRJQKFSA-N
Mol Weight 705.89 g/mol
Molecular Formula C36H392H5O10S2
Exact Mass 705.268974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qJtVk3o203
Name SYN-#4-4,5-D2+#4-4,5,5-D3;SYN-METHYL-5-(2-BENZENESULFONYLMETHYL-5-OXO-1-CYCLOPENTENYL)-4,5-DIDEUTERIOPENTANOATE+METHYL-5-(2-BENZENESULFONYLMETHYL-5-OXO-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H392H5O10S2
InChI InChI=1S/2C18H22O5S/c2*1-23-18(20)10-6-5-9-16-14(11-12-17(16)19)13-24(21,22)15-7-3-2-4-8-15/h2*2-4,7-8H,5-6,9-13H2,1H3/i5D,9D2;5D,9D/t;5-,9+/m.1/s1
InChIKey XUIBQQRBIVKSAL-WKPRJQKFSA-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 705.890 g/mol
Sample ID 40614
Solvent CDCl3