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Tert-Butyl (2-{[(benzyloxy)carbonyl]amino}-6-chloro-9H-purin-9-yl)acetate
SpectraBase Compound ID 4uItQZET9Wc
InChI InChI=1S/C19H20ClN5O4/c1-19(2,3)29-13(26)9-25-11-21-14-15(20)22-17(23-16(14)25)24-18(27)28-10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,22,23,24,27)
InChIKey HDWIECJNICBHJF-UHFFFAOYSA-N
Mol Weight 417.85 g/mol
Molecular Formula C19H20ClN5O4
Exact Mass 417.120382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VMnz2euEy
Name Tert-Butyl (2-{[(benzyloxy)carbonyl]amino}-6-chloro-9H-purin-9-yl)acetate
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Formula C19H20ClN5O4
InChI InChI=1S/C19H20ClN5O4/c1-19(2,3)29-13(26)9-25-11-21-14-15(20)22-17(23-16(14)25)24-18(27)28-10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,22,23,24,27)
InChIKey HDWIECJNICBHJF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.200700045
Molecular Weight 417.853 g/mol
SMILES N(C(=O)OCc1ccccc1)c1nc2[n](cnc2c(n1)Cl)CC(=O)OC(C)(C)C
SPLASH splash10-066r-0093200000-9e198550d7f249ab0e23
Source of Spectrum CMC-2-1405/SM4-9
Synonyms tert-Butyl 2-(2-(((benzyloxy)carbonyl)amino)-6-chloro-9H-purin-9-yl)acetate
Wiley ID 1771460