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5-O-(N-Benzylcarbamoyl)-1-(2-deoxy-.beta.,D-ribofuranosyl)uracil
SpectraBase Compound ID HEXTQpVs3Uw
InChI InChI=1S/C18H21N3O6/c1-11-9-21(17(24)20-16(11)23)15-7-13(14(10-22)26-15)27-18(25)19-8-12-5-3-2-4-6-12/h2-6,9,13-15,22H,7-8,10H2,1H3,(H,19,25)(H,20,23,24)/t13-,14+,15+/m0/s1
InChIKey IIBKVSKRACODSI-RRFJBIMHSA-N
Mol Weight 375.38 g/mol
Molecular Formula C18H21N3O6
Exact Mass 375.143035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFnvSnvxWj5
Name 5-O-(N-Benzylcarbamoyl)-1-(2-deoxy-.beta.,D-ribofuranosyl)uracil
Alternate Name(s) 1-(4-(N-Benzylcarbamoyl)-2-deoxy-.beta.,D-ribofuranosyl)Thimidine N-(phenylmethyl)carbamic acid [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] N-benzylcarbamate [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] N-benzylcarbamate [(2R,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] N-(phenylmethyl)carbamate
Comments Less than 3 mono-isotopic peaks
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Formula C18H21N3O6
InChI InChI=1S/C18H21N3O6/c1-11-9-21(17(24)20-16(11)23)15-7-13(14(10-22)26-15)27-18(25)19-8-12-5-3-2-4-6-12/h2-6,9,13-15,22H,7-8,10H2,1H3,(H,19,25)(H,20,23,24)/t13-,14+,15+/m0/s1
InChIKey IIBKVSKRACODSI-RRFJBIMHSA-N
Molecular Weight 375.381 g/mol
SMILES N1C(C(=CN([C@]2(C[C@](OC(NCc3ccccc3)=O)([C@](O2)(CO)[H])[H])[H])C1=O)C)=O
SPLASH splash10-001i-0910000000-118349360f0952cacb92
Source of Spectrum F-51-309-4
Wiley ID 790654