For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Amino-9-{[(cis)-1'-fluoro-2'-(acetoxymethyl)cycloprop-1'-yl]methyl}-6-chloropurine
SpectraBase Compound ID C3HdYgmXvgi
InChI InChI=1S/C12H13ClFN5O2/c1-6(20)21-3-7-2-12(7,14)4-19-5-16-8-9(13)17-11(15)18-10(8)19/h5,7H,2-4H2,1H3,(H2,15,17,18)/t7-,12-/m1/s1
InChIKey LFHXEBHZGDFRTF-JMCQJSRRSA-N
Mol Weight 313.72 g/mol
Molecular Formula C12H13ClFN5O2
Exact Mass 313.074181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5ij4lRj7Elf
Name 2-Amino-9-{[(cis)-1'-fluoro-2'-(acetoxymethyl)cycloprop-1'-yl]methyl}-6-chloropurine
Alternate Name(s) ((1R,2S)-2-((2-amino-6-chloro-9H-purin-9-yl)methyl)-2-fluorocyclopropyl)methyl acetate Acetic acid [(1R,2S)-2-[(2-amino-6-chloro-9-purinyl)methyl]-2-fluorocyclopropyl]methyl ester [(1R,2S)-2-[(2-amino-6-chloropurin-9-yl)methyl]-2-fluorocyclopropyl]methyl acetate [(1R,2S)-2-[(2-amino-6-chloro-purin-9-yl)methyl]-2-fluoro-cyclopropyl]methyl acetate [(1R,2S)-2-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-2-fluoranyl-cyclopropyl]methyl ethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13ClFN5O2
InChI InChI=1S/C12H13ClFN5O2/c1-6(20)21-3-7-2-12(7,14)4-19-5-16-8-9(13)17-11(15)18-10(8)19/h5,7H,2-4H2,1H3,(H2,15,17,18)/t7-,12-/m1/s1
InChIKey LFHXEBHZGDFRTF-JMCQJSRRSA-N
Molecular Weight 313.720 g/mol
SMILES Nc1nc(c2c([n](cn2)C[C@]2([C@@](COC(=O)C)(C2)[H])F)n1)Cl
SPLASH splash10-00e9-5930000000-3b8598b96a623e3b2cfe
Source of Spectrum F5-2-235-17a
Wiley ID 1731699