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N-Chlorotomatidine

View entire compound with spectra: 1 NMR

N-Chlorotomatidine
SpectraBase Compound ID JA7xwhmfzcu
InChI InChI=1S/C27H44ClNO2/c1-16-7-12-27(29(28)15-16)17(2)24-23(31-27)14-22-20-6-5-18-13-19(30)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,30H,5-15H2,1-4H3
InChIKey NWEUNOZWECVLAL-UHFFFAOYSA-N
Mol Weight 450.1 g/mol
Molecular Formula C27H44ClNO2
Exact Mass 449.306057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5t7kzeER6s8
Name N-Chlorotomatidine
CAS Registry Number 2526-21-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H44ClNO2
InChI InChI=1S/C27H44ClNO2/c1-16-7-12-27(29(28)15-16)17(2)24-23(31-27)14-22-20-6-5-18-13-19(30)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,30H,5-15H2,1-4H3
InChIKey NWEUNOZWECVLAL-UHFFFAOYSA-N
Literature Reference Austr. J. Chem. 32, 797 (1979).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3