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1-(4-Bromobutyl)thymine

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1-(4-Bromobutyl)thymine
SpectraBase Compound ID Ck3O2nAonyp
InChI InChI=1S/C9H13BrN2O2/c1-7-6-12(5-3-2-4-10)9(14)11-8(7)13/h6H,2-5H2,1H3,(H,11,13,14)
InChIKey GRUVTKLVGNFIAQ-UHFFFAOYSA-N
Mol Weight 261.12 g/mol
Molecular Formula C9H13BrN2O2
Exact Mass 260.016041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3VTZfGCtyp0
Name 1-(4-Bromobutyl)thymine
CAS Registry Number 52127-98-7
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H13BrN2O2
InChI InChI=1S/C9H13BrN2O2/c1-7-6-12(5-3-2-4-10)9(14)11-8(7)13/h6H,2-5H2,1H3,(H,11,13,14)
InChIKey GRUVTKLVGNFIAQ-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference F.S. Tjoeng, G. Jung, Chem. Ber. 109, 2615 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3