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(4-Adamantan-1-yl-piperazin-1-yl)-(2-chloro-5-nitro-phenyl)-methanone
SpectraBase Compound ID 99pAJXX0AYx
InChI InChI=1S/C21H26ClN3O3/c22-19-2-1-17(25(27)28)10-18(19)20(26)23-3-5-24(6-4-23)21-11-14-7-15(12-21)9-16(8-14)13-21/h1-2,10,14-16H,3-9,11-13H2/t14-,15+,16-,21-
InChIKey CYXZSDMOMRXCPF-OFIQSVQDSA-N
Mol Weight 403.91 g/mol
Molecular Formula C21H26ClN3O3
Exact Mass 403.166269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWZbLJOJNim
Name (4-Adamantan-1-yl-piperazin-1-yl)-(2-chloro-5-nitro-phenyl)-methanone
Alternate Name(s) 1-(1-Adamantyl)-4-(2-chloro-5-nitrobenzoyl)piperazine [4-(1-adamantyl)-1-piperazinyl]-(2-chloro-5-nitrophenyl)methanone [4-(1-adamantyl)piperazin-1-yl]-(2-chloranyl-5-nitro-phenyl)methanone [4-(1-adamantyl)piperazin-1-yl]-(2-chloro-5-nitro-phenyl)methanone [4-(1-adamantyl)piperazino]-(2-chloro-5-nitro-phenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26ClN3O3
InChI InChI=1S/C21H26ClN3O3/c22-19-2-1-17(25(27)28)10-18(19)20(26)23-3-5-24(6-4-23)21-11-14-7-15(12-21)9-16(8-14)13-21/h1-2,10,14-16H,3-9,11-13H2/t14-,15+,16-,21-
InChIKey CYXZSDMOMRXCPF-OFIQSVQDSA-N
Molecular Weight 403.910 g/mol
SMILES c1(C(N2CCN(C34C[C@]5(C[C@@](C4)(C[C@@](C3)(C5)[H])[H])[H])CC2)=O)cc(N(=O)=O)ccc1Cl
SPLASH splash10-000i-6900000000-1e43daf3022f3748b821
Wiley ID 1462334