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(1'R,4'S)-4'-Benzoyloxy-1'-(6-chloro-9H-purin-9-yl)cyclopent-2'-ene
SpectraBase Compound ID 4Hc4npV4FPk
InChI InChI=1S/C17H13ClN4O2/c18-15-14-16(20-9-19-15)22(10-21-14)12-6-7-13(8-12)24-17(23)11-4-2-1-3-5-11/h1-7,9-10,12-13H,8H2/t12-,13+/m1/s1
InChIKey ZYAFHRZNMXZLCT-OLZOCXBDSA-N
Mol Weight 340.77 g/mol
Molecular Formula C17H13ClN4O2
Exact Mass 340.072703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GyJfUnituFC
Name (1'R,4'S)-4'-Benzoyloxy-1'-(6-chloro-9H-purin-9-yl)cyclopent-2'-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13ClN4O2
InChI InChI=1S/C17H13ClN4O2/c18-15-14-16(20-9-19-15)22(10-21-14)12-6-7-13(8-12)24-17(23)11-4-2-1-3-5-11/h1-7,9-10,12-13H,8H2/t12-,13+/m1/s1
InChIKey ZYAFHRZNMXZLCT-OLZOCXBDSA-N
Molecular Weight 340.770 g/mol
SMILES c12[n](cnc2c(Cl)ncn1)[C@@]1(C=C[C@](OC(=O)c2ccccc2)(C1)[H])[H]
SPLASH splash10-0a4i-1910000000-a4f831a2c574b65e848d
Source of Spectrum QF-9-657-2
Synonyms (1R,4S)-4-(6-chloro-9H-purin-9-yl)-2-cyclopenten-1-yl benzoate
Wiley ID 1558238