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5-[(dihexylamino)methyl]-1-[(2R,4S,5R)-4-fluoranyl-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SpectraBase Compound ID 2nBRkNYOpfW
InChI InChI=1S/C22H38FN3O4/c1-3-5-7-9-11-25(12-10-8-6-4-2)14-17-15-26(22(29)24-21(17)28)20-13-18(23)19(16-27)30-20/h15,18-20,27H,3-14,16H2,1-2H3,(H,24,28,29)/t18-,19+,20+/m0/s1
InChIKey JGAHGCBDKNCNMM-XUVXKRRUSA-N
Mol Weight 427.6 g/mol
Molecular Formula C22H38FN3O4
Exact Mass 427.284635 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VpoCYfS6Xy
Name 5-[(dihexylamino)methyl]-1-[(2R,4S,5R)-4-fluoranyl-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H38FN3O4
InChI InChI=1S/C22H38FN3O4/c1-3-5-7-9-11-25(12-10-8-6-4-2)14-17-15-26(22(29)24-21(17)28)20-13-18(23)19(16-27)30-20/h15,18-20,27H,3-14,16H2,1-2H3,(H,24,28,29)/t18-,19+,20+/m0/s1
InChIKey JGAHGCBDKNCNMM-XUVXKRRUSA-N
Molecular Weight 427.561 g/mol
SMILES N1C(C(=CN([C@@]2(O[C@](CO)([C@](C2)(F)[H])[H])[H])C1=O)CN(CCCCCC)CCCCCC)=O
SPLASH splash10-03di-0900000000-1ebab0d82f6af406b5c7
Source of Spectrum AH-124-61-14
Synonyms 5-[(dihexylamino)methyl]-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione 5-[(dihexylamino)methyl]-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione 5-[(dihexylamino)methyl]-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione 5-[(dihexylamino)methyl]-1-[(2R,4S,5R)-4-fluoro-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
Wiley ID 1380385