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3,6-Anhydro-7-O-(4-bromo-benzoyl)-2-deoxy-4,5-O-isopropylidene-D-allo-heptononitrile
SpectraBase Compound ID 6f20umUL22L
InChI InChI=1S/C17H18BrNO5/c1-17(2)23-14-12(7-8-19)22-13(15(14)24-17)9-21-16(20)10-3-5-11(18)6-4-10/h3-6,12-15H,7,9H2,1-2H3
InChIKey WVCYPDQGWAWSLS-UHFFFAOYSA-N
Mol Weight 396.24 g/mol
Molecular Formula C17H18BrNO5
Exact Mass 395.036836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eq9CqRB9BEE
Name 3,6-Anhydro-7-O-(4-bromo-benzoyl)-2-deoxy-4,5-O-isopropylidene-D-altro-heptononitrile
CAS Registry Number 56703-44-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H18BrNO5
InChI InChI=1S/C17H18BrNO5/c1-17(2)23-14-12(7-8-19)22-13(15(14)24-17)9-21-16(20)10-3-5-11(18)6-4-10/h3-6,12-15H,7,9H2,1-2H3
InChIKey WVCYPDQGWAWSLS-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference H. Ohrui, G.H. Jones, J.G. Mofatt, J. Am. Chem. Soc. 97, 4602 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3