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3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-adamantanol
SpectraBase Compound ID 7yJggSoiUc7
InChI InChI=1S/C15H21N3O3/c1-9-13(18(20)21)10(2)17(16-9)14-4-11-3-12(5-14)7-15(19,6-11)8-14/h11-12,19H,3-8H2,1-2H3/t11-,12?,14+,15-/m0/s1
InChIKey ZXHYXVPOSHYRCI-NDAHRCIFSA-N
Mol Weight 291.35 g/mol
Molecular Formula C15H21N3O3
Exact Mass 291.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LO42gC6qYY
Name 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-adamantanol
Alternate Name(s) 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)adamantan-1-ol
CAS Registry Number 92234-58-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21N3O3
InChI InChI=1S/C15H21N3O3/c1-9-13(18(20)21)10(2)17(16-9)14-4-11-3-12(5-14)7-15(19,6-11)8-14/h11-12,19H,3-8H2,1-2H3/t11-,12?,14+,15-/m0/s1
InChIKey ZXHYXVPOSHYRCI-NDAHRCIFSA-N
Molecular Weight 291.351 g/mol
SMILES O[C@]12C[C@]3([n]4c(c(N(=O)=O)c(n4)C)C)C[C@@](C1)(CC(C3)C2)[H]
SPLASH splash10-0006-9500000000-f05d1b671420f0c4a943
Source of Spectrum Y-21-251-0
Wiley ID 1294500