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9-(5,6-Dideoxy-6(E)-iodo-2,3-O-isopropylidene-.beta.,D-ribo-hex-5-enfuranosyl)adenine
SpectraBase Compound ID LPQ3fAx5KpK
InChI InChI=1S/C14H16IN5O3/c1-14(2)22-9-7(3-4-15)21-13(10(9)23-14)20-6-19-8-11(16)17-5-18-12(8)20/h3-7,9-10,13H,1-2H3,(H2,16,17,18)/b4-3+/t7-,9?,10+,13-/m1/s1
InChIKey GEJWBYWECWAPGK-BCYPZHOPSA-N
Mol Weight 429.22 g/mol
Molecular Formula C14H16IN5O3
Exact Mass 429.029784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12VVoZhvHc
Name 9-(5,6-Dideoxy-6(E)-iodo-2,3-O-isopropylidene-.beta.,D-ribo-hex-5-enfuranosyl)adenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16IN5O3
InChI InChI=1S/C14H16IN5O3/c1-14(2)22-9-7(3-4-15)21-13(10(9)23-14)20-6-19-8-11(16)17-5-18-12(8)20/h3-7,9-10,13H,1-2H3,(H2,16,17,18)/b4-3+/t7-,9?,10+,13-/m1/s1
InChIKey GEJWBYWECWAPGK-BCYPZHOPSA-N
Molecular Weight 429.218 g/mol
SMILES Nc1c2c([n]([C@]3([C@@]4(C(OC(O4)(C)C)[C@](O3)(\C=C\I)[H])[H])[H])cn2)ncn1
SPLASH splash10-0ug0-0809500000-ef41d127d52a0651a8e7
Source of Spectrum E1-37-3584-4
Wiley ID 1575316