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2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
SpectraBase Compound ID 3UyxEM2sBoX
InChI InChI=1S/C16H19BrN4O4/c1-14(2)15(20(22)23)7-18-9-16(14,21(24)25)10-19(8-15)13(18)11-4-3-5-12(17)6-11/h3-6,13H,7-10H2,1-2H3
InChIKey RUFKIHWOTUJKGW-UHFFFAOYSA-N
Mol Weight 411.26 g/mol
Molecular Formula C16H19BrN4O4
Exact Mass 410.058968 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6lyCggDIxRE
Name 1,3-diazatricyclo[3.3.1.1~3,7~]decane, 2-(3-bromophenyl)-6,6-dimethyl-5,7-dinitro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.058968104 u
Formula C16H19BrN4O4
InChI InChI=1S/C16H19BrN4O4/c1-14(2)15(20(22)23)7-18-9-16(14,21(24)25)10-19(8-15)13(18)11-4-3-5-12(17)6-11/h3-6,13H,7-10H2,1-2H3
InChIKey RUFKIHWOTUJKGW-UHFFFAOYSA-N
Molecular Weight 411.256 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4934
Solvent DMSO-d6
Source Vendor ID: NMR/9235331; Lab Info: ART; Lab Number: ART-DAZ0084