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1-[4-(1-adamantyl)-1-piperazinyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone
SpectraBase Compound ID GeyWHo50w2q
InChI InChI=1S/C21H31N5O3/c1-14-20(26(28)29)15(2)25(22-14)13-19(27)23-3-5-24(6-4-23)21-10-16-7-17(11-21)9-18(8-16)12-21/h16-18H,3-13H2,1-2H3
InChIKey CXSZQZVEAQEGAC-UHFFFAOYSA-N
Mol Weight 401.51 g/mol
Molecular Formula C21H31N5O3
Exact Mass 401.24269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2jn0KXkFAF
Name 1-[4-(1-adamantyl)-1-piperazinyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone
Alternate Name(s) 1-[4-(1-adamantyl)piperazin-1-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone 1-[4-(1-adamantyl)piperazino]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31N5O3
InChI InChI=1S/C21H31N5O3/c1-14-20(26(28)29)15(2)25(22-14)13-19(27)23-3-5-24(6-4-23)21-10-16-7-17(11-21)9-18(8-16)12-21/h16-18H,3-13H2,1-2H3
InChIKey CXSZQZVEAQEGAC-UHFFFAOYSA-N
Molecular Weight 401.511 g/mol
SMILES c1(c([n](CC(N2CCN(C34CC5CC(C4)CC(C3)C5)CC2)=O)nc1C)C)N(=O)=O
SPLASH splash10-004u-4900000000-8a8040d4fce6e24063ce
Wiley ID 1443104