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7-(Adamantyl)-2-(4-methoxyphenyl)-6H-imidazo[4,5-e]benzoxazole
SpectraBase Compound ID 69YLiScO0JV
InChI InChI=1S/C25H25N3O2/c1-29-18-4-2-17(3-5-18)23-27-22-20(30-23)7-6-19-21(22)28-24(26-19)25-11-14-8-15(12-25)10-16(9-14)13-25/h2-7,14-16H,8-13H2,1H3,(H,26,28)/t14-,15+,16-,25-
InChIKey JOVRZJANQSIFNO-UHFFFAOYSA-N
Mol Weight 399.49 g/mol
Molecular Formula C25H25N3O2
Exact Mass 399.194677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwWbVG3H3P4
Name 7-(Adamantyl)-2-(4-methoxyphenyl)-6H-imidazo[4,5-e]benzoxazole
Appearance Beige crystals
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Formula C25H25N3O2
InChI InChI=1S/C25H25N3O2/c1-29-18-4-2-17(3-5-18)23-27-22-20(30-23)7-6-19-21(22)28-24(26-19)25-11-14-8-15(12-25)10-16(9-14)13-25/h2-7,14-16H,8-13H2,1H3,(H,26,28)/t14-,15+,16-,25-
InChIKey JOVRZJANQSIFNO-UHFFFAOYSA-N
Instrument Name Finnigan MAT95
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3062
Molecular Weight 399.494 g/mol
Reported Formula C25H25N3O2
SMILES [nH]1c(nc2c1ccc1c2nc(o1)-c1ccc(cc1)OC)C12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H]
SPLASH splash10-0005-0109000000-13a68b0dc714c08786c6
Source of Spectrum Y-55-455-11b
Thin-Layer Chromatography Rf = 0.25 (SiO2, hexanes/EtOAc, 3:1)
Wiley ID 1879009