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4-(2-(2-chloro-1-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-hydroxyethyl)benzonitrile
SpectraBase Compound ID 8xbrAGHOiYA
InChI InChI=1S/C18H16ClN3O2/c1-24-11-22-17(19)8-15-6-13(10-21-18(15)22)7-16(23)14-4-2-12(9-20)3-5-14/h2-6,8,10,16,23H,7,11H2,1H3
InChIKey GJWLBLDLRJRDRT-UHFFFAOYSA-N
Mol Weight 341.8 g/mol
Molecular Formula C18H16ClN3O2
Exact Mass 341.093104 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGxpcFCEIBm
Name 4-(2-(2-chloro-1-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-hydroxyethyl)benzonitrile
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Formula C18H16ClN3O2
InChI InChI=1S/C18H16ClN3O2/c1-24-11-22-17(19)8-15-6-13(10-21-18(15)22)7-16(23)14-4-2-12(9-20)3-5-14/h2-6,8,10,16,23H,7,11H2,1H3
InChIKey GJWLBLDLRJRDRT-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol500790p
Molecular Weight 341.798 g/mol
SMILES OC(Cc1cnc2[n](c(cc2c1)Cl)COC)c1ccc(cc1)C#N
SPLASH splash10-0a6r-3492000000-efaaa917ce5a48affabc
Source of Spectrum A1-16-2422/SM31-5n
Wiley ID 1749470