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IQBSMUNTNJZGDM-UHFFFAOYSA-L

View entire compound with spectra: 1 NMR

IQBSMUNTNJZGDM-UHFFFAOYSA-L
SpectraBase Compound ID 3kVvWAj1BqC
InChI InChI=1S/C16H23FO5.Ca.2ClHO4/c17-16-14-2-1-3-15(16)13-22-11-9-20-7-5-18-4-6-19-8-10-21-12-14;;2*2-1(3,4)5/h1-3H,4-13H2;;2*(H,2,3,4,5)/q;+2;;/p-2
InChIKey IQBSMUNTNJZGDM-UHFFFAOYSA-L
Mol Weight 553.3 g/mol
Molecular Formula C16H23CaCl2FO13
Exact Mass 552.012565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANQLq569m6V
Name IQBSMUNTNJZGDM-UHFFFAOYSA-L
Compound Number FNO5.CA(CLO4)2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H23CaCl2FO13
InChI InChI=1S/C16H23FO5.Ca.2ClHO4/c17-16-14-2-1-3-15(16)13-22-11-9-20-7-5-18-4-6-19-8-10-21-12-14;;2*2-1(3,4)5/h1-3H,4-13H2;;2*(H,2,3,4,5)/q;+2;;/p-2
InChIKey IQBSMUNTNJZGDM-UHFFFAOYSA-L
Literature Reference Author H.PLENIO,R.DIODONE
Literature Reference Citation J.AM.CHEM.SOC.,118,356(1996)
Literature Reference DOI 10.1021/ja952928a
Molecular Weight 553.335 g/mol
Sample ID 57214
Solvent CD3CN