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1-(3-Bromopropyl)thymine

View entire compound with spectra: 2 NMR

1-(3-Bromopropyl)thymine
SpectraBase Compound ID HGd13iZ7giQ
InChI InChI=1S/C8H11BrN2O2/c1-6-5-11(4-2-3-9)8(13)10-7(6)12/h5H,2-4H2,1H3,(H,10,12,13)
InChIKey PKTVBCNBVGNGLG-UHFFFAOYSA-N
Mol Weight 247.09 g/mol
Molecular Formula C8H11BrN2O2
Exact Mass 246.000391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JX3AQhgH395
Name 1-(3-Bromopropyl)thymine
CAS Registry Number 22919-50-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H11BrN2O2
InChI InChI=1S/C8H11BrN2O2/c1-6-5-11(4-2-3-9)8(13)10-7(6)12/h5H,2-4H2,1H3,(H,10,12,13)
InChIKey PKTVBCNBVGNGLG-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