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tricyclo[3.3.1.1~3,7~]decane-1-methanamine, N-[5-[4-(4-bromobenzoyl)-1-piperazinyl]-2-nitrophenyl]-alpha-methyl-
SpectraBase Compound ID H1moFXsezWq
InChI InChI=1S/C29H35BrN4O3/c1-19(29-16-20-12-21(17-29)14-22(13-20)18-29)31-26-15-25(6-7-27(26)34(36)37)32-8-10-33(11-9-32)28(35)23-2-4-24(30)5-3-23/h2-7,15,19-22,31H,8-14,16-18H2,1H3/t19?,20-,21+,22-,29-
InChIKey XRZRZZBQPAPSNF-WQKUKNPYSA-N
Mol Weight 567.5 g/mol
Molecular Formula C29H35BrN4O3
Exact Mass 566.189254 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KaGY3OkS6GQ
Name tricyclo[3.3.1.1~3,7~]decane-1-methanamine, N-[5-[4-(4-bromobenzoyl)-1-piperazinyl]-2-nitrophenyl]-alpha-methyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 566.189254000 u
Formula C29H35BrN4O3
InChI InChI=1S/C29H35BrN4O3/c1-19(29-16-20-12-21(17-29)14-22(13-20)18-29)31-26-15-25(6-7-27(26)34(36)37)32-8-10-33(11-9-32)28(35)23-2-4-24(30)5-3-23/h2-7,15,19-22,31H,8-14,16-18H2,1H3/t19?,20-,21+,22-,29-
InChIKey XRZRZZBQPAPSNF-WQKUKNPYSA-N
Molecular Weight 567.528 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7106
Solvent DMSO-d6
Source Vendor ID: NMR/10220711; Lab Info: LP; Lab Number: LP-2501207
Temperature 29.85 °C