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2-[5-(2-Naphthoxy)pentylthio]-5-bromo-uracil

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[5-(2-Naphthoxy)pentylthio]-5-bromo-uracil
SpectraBase Compound ID CfS8PHa2Y61
InChI InChI=1S/C19H19BrN2O2S/c20-17-13-21-19(22-18(17)23)25-11-5-1-4-10-24-16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,21,22,23)
InChIKey CXZCBABGWLQJAC-UHFFFAOYSA-N
Mol Weight 419.34 g/mol
Molecular Formula C19H19BrN2O2S
Exact Mass 418.035062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfLEMRjjiiU
Name 2-[5-(2-Naphthoxy)pentylthio]-5-bromo-uracil
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.035062032 u
Formula C19H19BrN2O2S
InChI InChI=1S/C19H19BrN2O2S/c20-17-13-21-19(22-18(17)23)25-11-5-1-4-10-24-16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,21,22,23)
InChIKey CXZCBABGWLQJAC-UHFFFAOYSA-N
Molecular Weight 419.337 g/mol
SMILES C1(=CN=C(NC1=O)SCCCCCOC1=CC2=C(C=CC=C2)C=C1)Br