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Vitamin B12 precursor I

View entire compound with spectra: 1 NMR

Vitamin B12 precursor I
SpectraBase Compound ID G60iu8w1etM
InChI InChI=1S/C37H49N3O11/c1-35(22-31(41)40(4)5,25(14-16-32(42)45-6)27-20-29(50-38-27)24-12-10-9-11-13-24)30-21-28(39-51-30)26(15-17-33(43)46-7)36(2,23-34(44)47-8)37(3)48-18-19-49-37/h9-13,20-21,25-26H,14-19,22-23H2,1-8H3
InChIKey ZRQATGZQJJQPLA-UHFFFAOYSA-N
Mol Weight 711.8 g/mol
Molecular Formula C37H49N3O11
Exact Mass 711.336709 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vxf4iOdKai
Name Vitamin B12 precursor I
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C37H49N3O11
InChI InChI=1S/C37H49N3O11/c1-35(22-31(41)40(4)5,25(14-16-32(42)45-6)27-20-29(50-38-27)24-12-10-9-11-13-24)30-21-28(39-51-30)26(15-17-33(43)46-7)36(2,23-34(44)47-8)37(3)48-18-19-49-37/h9-13,20-21,25-26H,14-19,22-23H2,1-8H3
InChIKey ZRQATGZQJJQPLA-UHFFFAOYSA-N
Instrument Name Bruker WP-200
Literature Reference R.V. Stevens, N. Beaulieu, W.H.Chan, J. Am. Chem. Soc. 108, 1039 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3