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1-[2',3'-Dideoxy-3'-piperidino-.alpha.-D-erythro-pentofuranosyl]-thymine
SpectraBase Compound ID 4tIKDK23iI9
InChI InChI=1S/C15H23N3O4/c1-10-8-18(15(21)16-14(10)20)13-7-11(12(9-19)22-13)17-5-3-2-4-6-17/h8,11-13,19H,2-7,9H2,1H3,(H,16,20,21)/t11-,12-,13+/m1/s1
InChIKey SYPCIUYAGWNZJR-UPJWGTAASA-N
Mol Weight 309.37 g/mol
Molecular Formula C15H23N3O4
Exact Mass 309.168856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FR5TcNtW6jS
Name 1-[2',3'-Dideoxy-3'-piperidino-.alpha.-D-erythro-pentofuranosyl]-thymine
Alternate Name(s) 1-[(2S,4S,5S)-5-(hydroxymethyl)-4-(piperidin-4-yl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H23N3O4
InChI InChI=1S/C15H23N3O4/c1-10-8-18(15(21)16-14(10)20)13-7-11(12(9-19)22-13)17-5-3-2-4-6-17/h8,11-13,19H,2-7,9H2,1H3,(H,16,20,21)/t11-,12-,13+/m1/s1
InChIKey SYPCIUYAGWNZJR-UPJWGTAASA-N
Molecular Weight 309.366 g/mol
SMILES N1C(C(=CN([C@]2(O[C@](CO)([C@@](C2)(N2CCCCC2)[H])[H])[H])C1=O)C)=O
SPLASH splash10-00di-0900000000-d8ac92d5c0471ae481fa
Source of Spectrum SB-49-295-12
Wiley ID 1310569