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N-[2-(4-Methoxyphenyl)benzoxazol-6-yl]adamantane-1-carboxamide
SpectraBase Compound ID mLIcKuEfyB
InChI InChI=1S/C25H26N2O3/c1-29-20-5-2-18(3-6-20)23-27-21-7-4-19(11-22(21)30-23)26-24(28)25-12-15-8-16(13-25)10-17(9-15)14-25/h2-7,11,15-17H,8-10,12-14H2,1H3,(H,26,28)/t15-,16+,17-,25-
InChIKey XMIUCYBJYFCUMQ-CIRRPZLZSA-N
Mol Weight 402.49 g/mol
Molecular Formula C25H26N2O3
Exact Mass 402.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBLqX62vpM4
Name N-[2-(4-Methoxyphenyl)benzoxazol-6-yl]adamantane-1-carboxamide
Appearance Pale beige crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26N2O3
InChI InChI=1S/C25H26N2O3/c1-29-20-5-2-18(3-6-20)23-27-21-7-4-19(11-22(21)30-23)26-24(28)25-12-15-8-16(13-25)10-17(9-15)14-25/h2-7,11,15-17H,8-10,12-14H2,1H3,(H,26,28)/t15-,16+,17-,25-
InChIKey XMIUCYBJYFCUMQ-CIRRPZLZSA-N
Instrument Name Finnigan MAT95
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3062
Molecular Weight 402.494 g/mol
Reported Formula C25H26N2O3
SMILES N(C(C12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H])=O)c1cc2c(cc1)nc(o2)-c1ccc(cc1)OC
SPLASH splash10-0f79-7900800000-fa358e373a6331b0d56d
Source of Spectrum Y-55-453-7g
Thin-Layer Chromatography Rf = 0.25 (SiO2, hexanes/EtOAc, 3:1)
Wiley ID 1879012