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2-(2-Adamantyl-1,3-thiazol-4-yl)-5-(3-methylphenyl)-1,3,4-oxadiazole
SpectraBase Compound ID IFwBIyyzFuG
InChI InChI=1S/C22H23N3OS/c1-13-3-2-4-17(5-13)19-24-25-20(26-19)18-12-27-21(23-18)22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,12,14-16H,6-11H2,1H3/t14-,15+,16-,22-
InChIKey QYKLPKJSYVHAOC-OFWUGVANSA-N
Mol Weight 377.51 g/mol
Molecular Formula C22H23N3OS
Exact Mass 377.156184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eu9oQx7RHHi
Name 2-(2-Adamantyl-1,3-thiazol-4-yl)-5-(3-methylphenyl)-1,3,4-oxadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23N3OS
InChI InChI=1S/C22H23N3OS/c1-13-3-2-4-17(5-13)19-24-25-20(26-19)18-12-27-21(23-18)22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,12,14-16H,6-11H2,1H3/t14-,15+,16-,22-
InChIKey QYKLPKJSYVHAOC-OFWUGVANSA-N
Instrument Name Agilent technologies 6890N-5973
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.b08
Molecular Weight 377.506 g/mol
SMILES C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])c1scc(n1)-c1nnc(o1)-c1cc(ccc1)C
SPLASH splash10-004i-3409000000-25c7411814625e1f0313
Source of Spectrum ARK-2009-90-6b
Thin-Layer Chromatography Rf = 0.55 (n-hexane/ethyl acetate, 7:3)
Wiley ID 1869669