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9-(5(Z)-chloro-5-deoxy-.beta.-D-erythro-pent-4-enofuranosyl)adenine
SpectraBase Compound ID HdZQyh5bBIN
InChI InChI=1S/C10H10ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1-/t6?,7?,10-/m1/s1
InChIKey CHJNOSMDBFGGQH-GGYKQHTESA-N
Mol Weight 283.68 g/mol
Molecular Formula C10H10ClN5O3
Exact Mass 283.047217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfF0i5QltMC
Name 9-(5(Z)-chloro-5-deoxy-.beta.-D-erythro-pent-4-enofuranosyl)adenine
CAS Registry Number 133167-61-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10ClN5O3
InChI InChI=1S/C10H10ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h1-3,6-7,10,17-18H,(H2,12,13,14)/b4-1-/t6?,7?,10-/m1/s1
InChIKey CHJNOSMDBFGGQH-GGYKQHTESA-N
Molecular Weight 283.675 g/mol
SMILES OC1C(\C(O[C@]1([n]1c2c(c(N)ncn2)nc1)[H])=C\Cl)O
SPLASH splash10-000i-0950000000-8fd90f2488637109e121
Source of Spectrum J-58-116-9
Synonyms 2-(6-amino-9H-purin-9-yl)-5-(chloromethylidene)oxolane-3,4-diol (2R,5Z)-2-(6-aminopurin-9-yl)-5-(chloromethylidene)oxolane-3,4-diol (2R,5Z)-2-(6-aminopurin-9-yl)-5-(chloromethylene)tetrahydrofuran-3,4-diol (2R,5Z)-2-(6-aminopurin-9-yl)-5-(chloranylmethylidene)oxolane-3,4-diol
Wiley ID 1286660