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(1'R,4'S)-1'-(6-Chloro-9H-purin-9-yl)-4'-methoxy[13C]carbonylcyclopent-2'-ene
SpectraBase Compound ID 4EoBlvqANsJ
InChI InChI=1S/C12H11ClN4O2/c1-19-12(18)7-2-3-8(4-7)17-6-16-9-10(13)14-5-15-11(9)17/h2-3,5-8H,4H2,1H3/t7-,8+/m1/s1/i12+1
InChIKey OUVRSHUFVJAKPU-AJPHYYGBSA-N
Mol Weight 279.69 g/mol
Molecular Formula C1113CH11ClN4O2
Exact Mass 279.060408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ncS51gObp4
Name (1'R,4'S)-1'-(6-Chloro-9H-purin-9-yl)-4'-methoxy[13C]carbonylcyclopent-2'-ene
Comments Original formula: C11[13C]H11ClN4O2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11ClN4O2
InChI InChI=1S/C12H11ClN4O2/c1-19-12(18)7-2-3-8(4-7)17-6-16-9-10(13)14-5-15-11(9)17/h2-3,5-8H,4H2,1H3/t7-,8+/m1/s1/i12+1
InChIKey OUVRSHUFVJAKPU-AJPHYYGBSA-N
Molecular Weight 279.691 g/mol
SMILES c12[n](cnc2c(Cl)ncn1)[C@]1(C=C[C@@]([13C](=O)OC)(C1)[H])[H]
SPLASH splash10-0ar3-4930000000-c150e8b4c91382c80902
Source of Spectrum QF-9-658-5
Wiley ID 1558236