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2-(2-Adamantyl-1,3-thiazol-4-yl)-5-(3-fluorophenyl)-1,3,4-oxadiazole
SpectraBase Compound ID 1zXvVhIdPJV
InChI InChI=1S/C21H20FN3OS/c22-16-3-1-2-15(7-16)18-24-25-19(26-18)17-11-27-20(23-17)21-8-12-4-13(9-21)6-14(5-12)10-21/h1-3,7,11-14H,4-6,8-10H2/t12-,13+,14-,21-
InChIKey CEELZTXQJNVQAH-GCHHLULHSA-N
Mol Weight 381.47 g/mol
Molecular Formula C21H20FN3OS
Exact Mass 381.131112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUB7yV9hvy7
Name 2-(2-Adamantyl-1,3-thiazol-4-yl)-5-(3-fluorophenyl)-1,3,4-oxadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20FN3OS
InChI InChI=1S/C21H20FN3OS/c22-16-3-1-2-15(7-16)18-24-25-19(26-18)17-11-27-20(23-17)21-8-12-4-13(9-21)6-14(5-12)10-21/h1-3,7,11-14H,4-6,8-10H2/t12-,13+,14-,21-
InChIKey CEELZTXQJNVQAH-GCHHLULHSA-N
Instrument Name Agilent technologies 6890N-5973
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.b08
Molecular Weight 381.469 g/mol
SMILES C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])c1scc(n1)-c1nnc(o1)-c1cc(ccc1)F
SPLASH splash10-001i-1219000000-f128e60ced53fef70c80
Source of Spectrum ARK-2009-92-6k
Thin-Layer Chromatography Rf = 0.52 (n-hexane/ethyl acetate, 7:3)
Wiley ID 1869676