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3-(1-Adamantyl)-5-methyl-4-(4-nitrophenyl)-1,2,4-triazole
SpectraBase Compound ID LvaxGqPslkC
InChI InChI=1S/C19H22N4O2/c1-12-20-21-18(22(12)16-2-4-17(5-3-16)23(24)25)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3/t13-,14+,15-,19-
InChIKey OVDCBQFTNAHSLX-CSVIQDERSA-N
Mol Weight 338.41 g/mol
Molecular Formula C19H22N4O2
Exact Mass 338.174276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRksia0UhwH
Name 3-(1-Adamantyl)-5-methyl-4-(4-nitrophenyl)-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N4O2
InChI InChI=1S/C19H22N4O2/c1-12-20-21-18(22(12)16-2-4-17(5-3-16)23(24)25)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3/t13-,14+,15-,19-
InChIKey OVDCBQFTNAHSLX-CSVIQDERSA-N
Molecular Weight 338.411 g/mol
SMILES c1([n](c(C)nn1)-c1ccc(N(=O)=O)cc1)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-000i-0947000000-9e3a9c748c02df70b8d4
Source of Spectrum O1-47-783-3b
Wiley ID 1669472