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Isovaltratum chlorohydrine

View entire compound with spectra: 1 NMR

Isovaltratum chlorohydrine
SpectraBase Compound ID CzOm51OrGOQ
InChI InChI=1S/C22H31ClO8/c1-12(2)6-18(25)28-9-15-10-29-21(31-19(26)7-13(3)4)20-16(15)8-17(30-14(5)24)22(20,27)11-23/h8,10,12-13,17,20-21,27H,6-7,9,11H2,1-5H3
InChIKey QJRWKLJFMYNELF-UHFFFAOYSA-N
Mol Weight 458.94 g/mol
Molecular Formula C22H31ClO8
Exact Mass 458.170746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWaUxakxjXl
Name Isovaltratum chlorohydrine
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H31ClO8
InChI InChI=1S/C22H31ClO8/c1-12(2)6-18(25)28-9-15-10-29-21(31-19(26)7-13(3)4)20-16(15)8-17(30-14(5)24)22(20,27)11-23/h8,10,12-13,17,20-21,27H,6-7,9,11H2,1-5H3
InChIKey QJRWKLJFMYNELF-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference E. Finner, S. David, W. Thies, Planta Medica 50, 4 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3