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4-bromo-N-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-1-methyl-1H-pyrazole-3-carboxamide
SpectraBase Compound ID 2gRXerTdVSb
InChI InChI=1S/C16H15BrN4O3/c1-20-5-10(17)13(18-20)14(22)19-21-15(23)11-6-2-3-7(9-4-8(6)9)12(11)16(21)24/h2-3,5-9,11-12H,4H2,1H3,(H,19,22)/t6-,7+,8+,9-,11-,12?/m0/s1
InChIKey LMHHPCYJUBLDJT-ZFMMQAITSA-N
Mol Weight 391.23 g/mol
Molecular Formula C16H15BrN4O3
Exact Mass 390.032753 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Lbkxg20DJ
Name 4-bromo-N-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-1-methyl-1H-pyrazole-3-carboxamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H15BrN4O3/c1-20-5-10(17)13(18-20)14(22)19-21-15(23)11-6-2-3-7(9-4-8(6)9)12(11)16(21)24/h2-3,5-9,11-12H,4H2,1H3,(H,19,22)/t6-,7+,8+,9-,11-,12?/m0/s1
InChIKey LMHHPCYJUBLDJT-ZFMMQAITSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16826
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/8185124; UBI_ID: UBI-016829
Temperature 318 °C