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3'-N-Allylamino-3'-deoxyxylothymidine 3',5'-Carbamate
SpectraBase Compound ID 7UTXYM1XdDx
InChI InChI=1S/C14H17N3O5/c1-3-4-16-9-5-11(22-10(9)7-21-14(16)20)17-6-8(2)12(18)15-13(17)19/h3,6,9-11H,1,4-5,7H2,2H3,(H,15,18,19)/t9-,10+,11?/m1/s1
InChIKey CAGLPVMRSRQQCO-JKIOLJMWSA-N
Mol Weight 307.31 g/mol
Molecular Formula C14H17N3O5
Exact Mass 307.116821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E6sinoZ6j3j
Name 3'-N-Allylamino-3'-deoxyxylothymidine 3',5'-Carbamate
Alternate Name(s) 1-[(4aR,6R,7aR)-1-allyl-2-oxohexahydro-2H-furo[3,2-d][1,3]oxazin-6-yl]-5-methyl-2,4(1H,3H)-pyrimidinedione 2,4(1H,3H)-Pyrimidinedione
Comments Less than 3 mono-isotopic peaks
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Formula C14H17N3O5
InChI InChI=1S/C14H17N3O5/c1-3-4-16-9-5-11(22-10(9)7-21-14(16)20)17-6-8(2)12(18)15-13(17)19/h3,6,9-11H,1,4-5,7H2,2H3,(H,15,18,19)/t9-,10+,11?/m1/s1
InChIKey CAGLPVMRSRQQCO-JKIOLJMWSA-N
Molecular Weight 307.306 g/mol
SMILES N1C(C(=CN(C1=O)C1C[C@]2(N(C(=O)OC[C@@]2(O1)[H])CC=C)[H])C)=O
SPLASH splash10-001i-0904000000-94b72c043eded670367b
Source of Spectrum J-61-6985-10
Wiley ID 1308843