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3-(1-Adamantyl)-N-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenyl-1H-pyrazole-4-carboxamide
SpectraBase Compound ID 812D5kXYkki
InChI InChI=1S/C22H24N6O2/c23-19-20(27-30-26-19)24-21(29)17-12-28(16-4-2-1-3-5-16)25-18(17)22-9-13-6-14(10-22)8-15(7-13)11-22/h1-5,12-15H,6-11H2,(H2,23,26)(H,24,27,29)/t13-,14+,15-,22-
InChIKey YXZZYGRQTSJIRS-CNNQHEGBSA-N
Mol Weight 404.47 g/mol
Molecular Formula C22H24N6O2
Exact Mass 404.196074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExcpglJXnS1
Name 3-(1-Adamantyl)-N-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenyl-1H-pyrazole-4-carboxamide
Alternate Name(s) 3-Adamantan-1-yl-1-phenyl-1H-pyrazole-4-carboxylic acid (4-amino-furazan-3-yl)-amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24N6O2
InChI InChI=1S/C22H24N6O2/c23-19-20(27-30-26-19)24-21(29)17-12-28(16-4-2-1-3-5-16)25-18(17)22-9-13-6-14(10-22)8-15(7-13)11-22/h1-5,12-15H,6-11H2,(H2,23,26)(H,24,27,29)/t13-,14+,15-,22-
InChIKey YXZZYGRQTSJIRS-CNNQHEGBSA-N
Molecular Weight 404.474 g/mol
SMILES N(C(c1c[n](nc1C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])-c1ccccc1)=O)c1c(non1)N
SPLASH splash10-0a4i-6329000000-8a9b8c58a85d230fc05f
Wiley ID 1439127