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5-(4-bromophenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
SpectraBase Compound ID 49ncAGs42eM
InChI InChI=1S/C15H15BrN2O5/c16-9-3-1-8(2-4-9)10-6-18(15(22)17-14(10)21)13-5-11(20)12(7-19)23-13/h1-4,6,11-13,19-20H,5,7H2,(H,17,21,22)/t11-,12+,13+/m0/s1
InChIKey DJCUEJFNPBJCKV-YNEHKIRRSA-N
Mol Weight 383.2 g/mol
Molecular Formula C15H15BrN2O5
Exact Mass 382.016435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19nJrql5DgH
Name 5-(4-bromophenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
Alternate Name(s) 5-(4-bromophenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione 5-(4-bromophenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione 5-(4-bromophenyl)-1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone 5-(4-bromophenyl)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
CAS Registry Number 108664-90-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15BrN2O5
InChI InChI=1S/C15H15BrN2O5/c16-9-3-1-8(2-4-9)10-6-18(15(22)17-14(10)21)13-5-11(20)12(7-19)23-13/h1-4,6,11-13,19-20H,5,7H2,(H,17,21,22)/t11-,12+,13+/m0/s1
InChIKey DJCUEJFNPBJCKV-YNEHKIRRSA-N
Molecular Weight 383.198 g/mol
SMILES N1C(C(=CN([C@]2(C[C@@]([C@](O2)(CO)[H])(O)[H])[H])C1=O)c1ccc(cc1)Br)=O
SPLASH splash10-014i-0390000000-bcdf664cfbd127df9337
Source of Spectrum J-52-3630-10
Wiley ID 1360360