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(4-Adamantan-1-yl-piperazin-1-yl)-(2-chloro-5-nitro-phenyl)-methanone

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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AGzc5lK2fXD
Name piperazine, 1-(2-chloro-5-nitrobenzoyl)-4-tricyclo[3.3.1.1~3,7~]dec-1-yl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.166269406 u
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
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14739
Solvent DMSO-d6
Source Vendor ID: NMR/11210109; Lab Info: DS; Lab Number: DS-z0001257