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D-Mannitol, 3,6-anhydro-1-deoxy-1-(3,4-dihydro-5-methyl-1(2H)-pyrimidinyl)-
SpectraBase Compound ID J3bDNxR73PW
InChI InChI=1S/C11H16N2O6/c1-5-2-13(11(18)12-10(5)17)3-6(14)9-8(16)7(15)4-19-9/h2,6-9,14-16H,3-4H2,1H3,(H,12,17,18)/t6-,7+,8-,9?/m1/s1
InChIKey QVYKWLLNRNKEBD-OBCZXFEGSA-N
Mol Weight 272.26 g/mol
Molecular Formula C11H16N2O6
Exact Mass 272.100836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JuLtUCty7LW
Name D-Mannitol, 3,6-anhydro-1-deoxy-1-(3,4-dihydro-5-methyl-1(2H)-pyrimidinyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16N2O6
InChI InChI=1S/C11H16N2O6/c1-5-2-13(11(18)12-10(5)17)3-6(14)9-8(16)7(15)4-19-9/h2,6-9,14-16H,3-4H2,1H3,(H,12,17,18)/t6-,7+,8-,9?/m1/s1
InChIKey QVYKWLLNRNKEBD-OBCZXFEGSA-N
Molecular Weight 272.257 g/mol
SMILES N1C(C(=CN(C[C@](C2[C@@]([C@](CO2)(O)[H])(O)[H])(O)[H])C1=O)C)=O
SPLASH splash10-00ou-0910000000-258fe6905e500ae571bf
Source of Spectrum AU-21-325-8
Synonyms 1-[(2R)-2-[(3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione 3,6-Anhydro-1-desoxy-1-(thymine-1-yl)-D-mannitol
Wiley ID 1275713