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6-Chloro-9-[(2R*,3S*)-3-iodo-N-(methoxycarbonyl)-2-pyrrolidinyl]-purine
SpectraBase Compound ID 7HfItUZvXPI
InChI InChI=1S/C11H11ClIN5O2/c1-20-11(19)17-3-2-6(13)10(17)18-5-16-7-8(12)14-4-15-9(7)18/h4-6,10H,2-3H2,1H3/t6-,10-/m0/s1
InChIKey DFCKAZLDAYCFAG-WKEGUHRASA-N
Mol Weight 407.6 g/mol
Molecular Formula C11H11ClIN5O2
Exact Mass 406.964597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cZ4xnKZeq
Name 6-Chloro-9-[(2R*,3S*)-3-iodo-N-(methoxycarbonyl)-2-pyrrolidinyl]-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11ClIN5O2
InChI InChI=1S/C11H11ClIN5O2/c1-20-11(19)17-3-2-6(13)10(17)18-5-16-7-8(12)14-4-15-9(7)18/h4-6,10H,2-3H2,1H3/t6-,10-/m0/s1
InChIKey DFCKAZLDAYCFAG-WKEGUHRASA-N
Molecular Weight 407.599 g/mol
SMILES c12[n](cnc2c(Cl)ncn1)[C@@]1(N(C(=O)OC)CC[C@@]1(I)[H])[H]
SPLASH splash10-0ufr-0790000000-83b3bba646c8a63f7841
Source of Spectrum U1-2010-6638-20
Wiley ID 1664749