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9-(2,3-Di-O-Acetyl-5(E)-chloro-5-deoxy-.beta.-D-erythro-pent-4-enofuranosyl)adenine
SpectraBase Compound ID Fo9qz0c6gQl
InChI InChI=1S/C14H14ClN5O5/c1-6(21)23-10-8(3-15)25-14(11(10)24-7(2)22)20-5-19-9-12(16)17-4-18-13(9)20/h3-5,10-11,14H,1-2H3,(H2,16,17,18)/b8-3+/t10-,11-,14?/m0/s1
InChIKey RWOZJRGIBNFIKD-JRQPFPGUSA-N
Mol Weight 367.75 g/mol
Molecular Formula C14H14ClN5O5
Exact Mass 367.068346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4T4hdy5mW8
Name 9-(2,3-Di-O-Acetyl-5(E)-chloro-5-deoxy-.beta.-D-erythro-pent-4-enofuranosyl)adenine
CAS Registry Number 144494-05-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14ClN5O5
InChI InChI=1S/C14H14ClN5O5/c1-6(21)23-10-8(3-15)25-14(11(10)24-7(2)22)20-5-19-9-12(16)17-4-18-13(9)20/h3-5,10-11,14H,1-2H3,(H2,16,17,18)/b8-3+/t10-,11-,14?/m0/s1
InChIKey RWOZJRGIBNFIKD-JRQPFPGUSA-N
Molecular Weight 367.749 g/mol
SMILES Nc1c2c([n](C3[C@]([C@@](OC(=O)C)(\C(O3)=C/Cl)[H])(OC(=O)C)[H])cn2)ncn1
SPLASH splash10-05wr-0968000000-12af3e7a606cb02ca523
Source of Spectrum J-58-116-8a(E)
Wiley ID 1353517