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5-(Benzyloxy)-3-[(6-chloro-9H-purin-9-yl)methoxy]pentyl pivalate
SpectraBase Compound ID BsRjR9aAhVO
InChI InChI=1S/C23H29ClN4O4/c1-23(2,3)22(29)31-12-10-18(9-11-30-13-17-7-5-4-6-8-17)32-16-28-15-27-19-20(24)25-14-26-21(19)28/h4-8,14-15,18H,9-13,16H2,1-3H3
InChIKey RIYPOPBVTNCLMB-UHFFFAOYSA-N
Mol Weight 460.96 g/mol
Molecular Formula C23H29ClN4O4
Exact Mass 460.187733 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6DyqljFPyDX
Name 5-(Benzyloxy)-3-[(6-chloro-9H-purin-9-yl)methoxy]pentyl pivalate
CAS Registry Number 128435-32-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29ClN4O4
InChI InChI=1S/C23H29ClN4O4/c1-23(2,3)22(29)31-12-10-18(9-11-30-13-17-7-5-4-6-8-17)32-16-28-15-27-19-20(24)25-14-26-21(19)28/h4-8,14-15,18H,9-13,16H2,1-3H3
InChIKey RIYPOPBVTNCLMB-UHFFFAOYSA-N
Molecular Weight 460.962 g/mol
SMILES c1(Cl)c2c(ncn1)[n](cn2)COC(CCOC(=O)C(C)(C)C)CCOCc1ccccc1
SPLASH splash10-052f-9600000000-b774b6121b1b44a1ee32
Synonyms Propanoic acid, 2,2-dimethyl-, 3-[(6-chloro-9H-purin-9-yl)methoxy]-5-(phenylmethoxy)pentyl ester, (S)- 2,2-Dimethylpropanoic acid [3-[(6-chloro-9-purinyl)methoxy]-5-phenylmethoxypentyl] ester [3-[(6-chloropurin-9-yl)methoxy]-5-phenylmethoxypentyl] 2,2-dimethylpropanoate [5-benzyloxy-3-[(6-chloropurin-9-yl)methoxy]pentyl] 2,2-dimethylpropanoate [3-[(6-chloranylpurin-9-yl)methoxy]-5-phenylmethoxy-pentyl] 2,2-dimethylpropanoate
Wiley ID 1486260