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1-[2'-Deoxy-3',5'-O-diacetyl-3',5'-ethano-.beta.-D-ribofuranosyl]thymine
SpectraBase Compound ID Djp5lFzh6KM
InChI InChI=1S/C16H20N2O7/c1-8-7-18(15(22)17-14(8)21)12-6-16(25-10(3)20)5-4-11(13(16)24-12)23-9(2)19/h7,11-13H,4-6H2,1-3H3,(H,17,21,22)/t11?,12-,13-,16+/m1/s1
InChIKey POZGTDRQASZFDM-WMUIIJNJSA-N
Mol Weight 352.34 g/mol
Molecular Formula C16H20N2O7
Exact Mass 352.127051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CP7KL8Zj5PS
Name 1-[2'-Deoxy-3',5'-O-diacetyl-3',5'-ethano-.beta.-D-ribofuranosyl]thymine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O7
InChI InChI=1S/C16H20N2O7/c1-8-7-18(15(22)17-14(8)21)12-6-16(25-10(3)20)5-4-11(13(16)24-12)23-9(2)19/h7,11-13H,4-6H2,1-3H3,(H,17,21,22)/t11?,12-,13-,16+/m1/s1
InChIKey POZGTDRQASZFDM-WMUIIJNJSA-N
Molecular Weight 352.343 g/mol
SMILES N1C(C(=CN(C1=O)[C@@]1(O[C@@]2(C(OC(=O)C)CC[C@@]2(C1)OC(=O)C)[H])[H])C)=O
SPLASH splash10-05r3-5920000000-202e76ee255d837c5225
Source of Spectrum H-79-1143-7
Synonyms (2R,3aS,6S,6aR)-3a-(acetyloxy)-2-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)hexahydro-3aH-cyclopenta[b]furan-6-yl acetate
Wiley ID 1343024