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Mollisin acetate
SpectraBase Compound ID BG5MDykYufv
InChI InChI=1S/C16H12Cl2O5/c1-6-5-10(23-8(3)19)12-9(20)4-7(2)14(21)13(12)11(6)15(22)16(17)18/h4-5,16H,1-3H3
InChIKey NWMZNZKDUYUMMR-UHFFFAOYSA-N
Mol Weight 355.17 g/mol
Molecular Formula C16H12Cl2O5
Exact Mass 354.006179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2PPFRvbNnqY
Name Mollisin acetate
CAS Registry Number 59995-87-8
Comments C-C COUPLING CONSTANTS FROM 1,2-ENRICHED COMPOUND
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H12Cl2O5
InChI InChI=1S/C16H12Cl2O5/c1-6-5-10(23-8(3)19)12-9(20)4-7(2)14(21)13(12)11(6)15(22)16(17)18/h4-5,16H,1-3H3
InChIKey NWMZNZKDUYUMMR-UHFFFAOYSA-N
Instrument Name Bruker WH-270
Literature Reference M.L. Casey, R.C. Paulick, H.W. Whitlock, J. Am. Chem. Soc. 98, 2636 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3