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2-(1-Adamantyl)-5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazole
SpectraBase Compound ID D3Fesy1USie
InChI InChI=1S/C18H18ClN3O3/c19-15-6-13(22(23)24)1-2-14(15)16-20-21-17(25-16)18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9H2/t10-,11+,12-,18-
InChIKey NJYRMRHSUAGMME-TTXAVTLXSA-N
Mol Weight 359.81 g/mol
Molecular Formula C18H18ClN3O3
Exact Mass 359.103669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LGktK3YFEg
Name 2-(1-Adamantyl)-5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClN3O3
InChI InChI=1S/C18H18ClN3O3/c19-15-6-13(22(23)24)1-2-14(15)16-20-21-17(25-16)18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9H2/t10-,11+,12-,18-
InChIKey NJYRMRHSUAGMME-TTXAVTLXSA-N
Molecular Weight 359.813 g/mol
SMILES c1(oc(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])nn1)-c1c(cc(N(=O)=O)cc1)Cl
SPLASH splash10-000f-9807000000-4945cb9225eaf26f420e
Source of Spectrum EMC-42-239-4h
Synonyms 2-((3r,5r,7r)-adamantan-1-yl)-5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazole 2-(1-adamantyl)-5-(2-chloranyl-4-nitro-phenyl)-1,3,4-oxadiazole
Wiley ID 1735163