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6-O-allyl-2'-deoxy-2-(phenylthio)inosine
SpectraBase Compound ID 5LeB2k3K28m
InChI InChI=1S/C19H20N4O4S/c1-2-8-26-18-16-17(21-19(22-18)28-12-6-4-3-5-7-12)23(11-20-16)15-9-13(25)14(10-24)27-15/h2-7,11,13-15,24-25H,1,8-10H2/t13-,14+,15+/m0/s1
InChIKey KQFJXHGGXPURJV-RRFJBIMHSA-N
Mol Weight 400.45 g/mol
Molecular Formula C19H20N4O4S
Exact Mass 400.120526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Pzn7JT4riO
Name 6-O-allyl-2'-deoxy-2-(phenylthio)inosine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N4O4S
InChI InChI=1S/C19H20N4O4S/c1-2-8-26-18-16-17(21-19(22-18)28-12-6-4-3-5-7-12)23(11-20-16)15-9-13(25)14(10-24)27-15/h2-7,11,13-15,24-25H,1,8-10H2/t13-,14+,15+/m0/s1
InChIKey KQFJXHGGXPURJV-RRFJBIMHSA-N
Molecular Weight 400.453 g/mol
SMILES OC[C@]1(O[C@](C[C@@]1(O)[H])([n]1c2c(c(OCC=C)nc(n2)Sc2ccccc2)nc1)[H])[H]
SPLASH splash10-0apl-7590000000-93d0174ccf8f7154a849
Source of Spectrum KC-0-1891-0
Synonyms (2R,3S,5R)-2-(hydroxymethyl)-5-[2-(phenylsulfanyl)-6-(prop-2-en-1-yloxy)-9H-purin-9-yl]oxolan-3-ol
Wiley ID 822747