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9-((1-fluoro-3-(p-tolylthio)propan-2-yloxy)methyl)-9H-purin-6-amine
SpectraBase Compound ID 5P7VYIUZvNV
InChI InChI=1S/C16H18FN5OS/c1-11-2-4-13(5-3-11)24-7-12(6-17)23-10-22-9-21-14-15(18)19-8-20-16(14)22/h2-5,8-9,12H,6-7,10H2,1H3,(H2,18,19,20)
InChIKey LSKJSKYGIHTUDS-UHFFFAOYSA-N
Mol Weight 347.41 g/mol
Molecular Formula C16H18FN5OS
Exact Mass 347.12161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2jrOdEG9R8
Name 9-((1-fluoro-3-(p-tolylthio)propan-2-yloxy)methyl)-9H-purin-6-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18FN5OS
InChI InChI=1S/C16H18FN5OS/c1-11-2-4-13(5-3-11)24-7-12(6-17)23-10-22-9-21-14-15(18)19-8-20-16(14)22/h2-5,8-9,12H,6-7,10H2,1H3,(H2,18,19,20)
InChIKey LSKJSKYGIHTUDS-UHFFFAOYSA-N
Instrument Name VG ZAB SEQ
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290091210
Molecular Weight 347.412 g/mol
SMILES Nc1c2c([n](COC(CSc3ccc(cc3)C)CF)cn2)ncn1
SPLASH splash10-001i-0900000000-5b2ae722337136c53d9f
Source of Spectrum RCM-9-1128-2
Wiley ID 1835791