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(3'S,5'R)-1-(2'-Deoxy-3',5'-ethano-.alpha.-D-ribofuranosyl)-thymine
SpectraBase Compound ID 14RdzAAUbt0
InChI InChI=1S/C12H16N2O5/c1-6-5-14(11(17)13-10(6)16)8-4-12(18)3-2-7(15)9(12)19-8/h5,7-9,15,18H,2-4H2,1H3,(H,13,16,17)/t7-,8+,9-,12+/m1/s1
InChIKey TYMDKJLKXAJWGP-SREGZZRCSA-N
Mol Weight 268.27 g/mol
Molecular Formula C12H16N2O5
Exact Mass 268.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aa86lPjTbtp
Name (3'S,5'R)-1-(2'-Deoxy-3',5'-ethano-.alpha.-D-ribofuranosyl)-thymine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O5
InChI InChI=1S/C12H16N2O5/c1-6-5-14(11(17)13-10(6)16)8-4-12(18)3-2-7(15)9(12)19-8/h5,7-9,15,18H,2-4H2,1H3,(H,13,16,17)/t7-,8+,9-,12+/m1/s1
InChIKey TYMDKJLKXAJWGP-SREGZZRCSA-N
Molecular Weight 268.269 g/mol
SMILES N1C(C(=CN([C@@]2(C[C@]3(CC[C@]([C@]3(O2)[H])(O)[H])O)[H])C1=O)C)=O
SPLASH splash10-004m-3900000000-86111ee8cd62b2afa36d
Source of Spectrum H-76-505-5
Synonyms 1-((2S,3aS,6R,6aR)-3a,6-Dihydroxy-hexahydro-cyclopenta[b]furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione 1-[(2S,3aS,6R)-3a,6-dihydroxyhexahydro-2H-cyclopenta[b]furan-2-yl]-5-methyl-2,4(1H,3H)-pyrimidinedione
Wiley ID 1271735