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2,4(1H,3H)-Pyrimidinedione, 5-bromo-5-fluorodihydro-1,3-dimethyl-6-(1-methylethoxy)-, trans-(.+-.)-
SpectraBase Compound ID AF2NyWgzpsb
InChI InChI=1S/C9H14BrFN2O3/c1-5(2)16-7-9(10,11)6(14)12(3)8(15)13(7)4/h5,7H,1-4H3/t7-,9+/m1/s1
InChIKey XYKWBXQZWCSAMW-APPZFPTMSA-N
Mol Weight 297.12 g/mol
Molecular Formula C9H14BrFN2O3
Exact Mass 296.017183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yBrFbwl4ZG
Name 2,4(1H,3H)-Pyrimidinedione, 5-bromo-5-fluorodihydro-1,3-dimethyl-6-(1-methylethoxy)-, trans-(.+-.)-
CAS Registry Number 129933-33-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14BrFN2O3
InChI InChI=1S/C9H14BrFN2O3/c1-5(2)16-7-9(10,11)6(14)12(3)8(15)13(7)4/h5,7H,1-4H3/t7-,9+/m1/s1
InChIKey XYKWBXQZWCSAMW-APPZFPTMSA-N
Molecular Weight 297.124 g/mol
SMILES [C@@]1([C@](N(C)C(N(C1=O)C)=O)(OC(C)C)[H])(F)Br
SPLASH splash10-009g-9860000000-f39e77154c1b1a88acd1
Source of Spectrum F-46-3098-5
Synonyms (+-)-R-5-Bromo-5-fluoro-t-6-isopropoxy-1,3-dimethyl-5,6-dihydrouracil (5S,6R)-5-bromo-5-fluoro-6-isopropoxy-1,3-dimethyldihydro-2,4(1H,3H)-pyrimidinedione
Wiley ID 1298558