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Ivalbatin acetate

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Ivalbatin acetate
SpectraBase Compound ID IqpfzBwXjy5
InChI InChI=1S/C17H22O5/c1-9(18)5-6-13-7-16-14(11(3)17(20)22-16)8-15(10(13)2)21-12(4)19/h7,10,14-16H,3,5-6,8H2,1-2,4H3
InChIKey HDGJZUYCLFNJBX-UHFFFAOYSA-N
Mol Weight 306.36 g/mol
Molecular Formula C17H22O5
Exact Mass 306.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 47PBYi5MwrQ
Name Ivalbatin acetate
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C17H22O5
InChI InChI=1S/C17H22O5/c1-9(18)5-6-13-7-16-14(11(3)17(20)22-16)8-15(10(13)2)21-12(4)19/h7,10,14-16H,3,5-6,8H2,1-2,4H3
InChIKey HDGJZUYCLFNJBX-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference W. Herz, N. Kumar, J.F. Blount, J. Org. Chem. 44, 4437 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6