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tricyclo[3.3.1.1~3,7~]decane-1-methanamine, N-[5-[4-[(4-bromophenyl)sulfonyl]-1-piperazinyl]-2-nitrophenyl]-alpha-methyl-
SpectraBase Compound ID AjY2XufF53z
InChI InChI=1S/C28H35BrN4O4S/c1-19(28-16-20-12-21(17-28)14-22(13-20)18-28)30-26-15-24(4-7-27(26)33(34)35)31-8-10-32(11-9-31)38(36,37)25-5-2-23(29)3-6-25/h2-7,15,19-22,30H,8-14,16-18H2,1H3
InChIKey UEHIQHAGEMILKQ-UHFFFAOYSA-N
Mol Weight 603.6 g/mol
Molecular Formula C28H35BrN4O4S
Exact Mass 602.15624 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DlzWLffWmkm
Name tricyclo[3.3.1.1~3,7~]decane-1-methanamine, N-[5-[4-[(4-bromophenyl)sulfonyl]-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 602.156239793 u
Formula C28H35BrN4O4S
InChI InChI=1S/C28H35BrN4O4S/c1-19(28-16-20-12-21(17-28)14-22(13-20)18-28)30-26-15-24(4-7-27(26)33(34)35)31-8-10-32(11-9-31)38(36,37)25-5-2-23(29)3-6-25/h2-7,15,19-22,30H,8-14,16-18H2,1H3
InChIKey UEHIQHAGEMILKQ-UHFFFAOYSA-N
Molecular Weight 603.576 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_82
Solvent DMSO-d6
Source Vendor ID: NMR/12320360; Lab Info: KMA; Lab Number: S38156