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11-Methyl-1,9-dinitro-11-aza-tricyclo[7.3.1.0(2,7)]trideca-2(7),3,5-trien-8-one
SpectraBase Compound ID 9o6h2uJQ1yy
InChI InChI=1S/C13H13N3O5/c1-14-7-12(15(18)19)6-13(8-14,16(20)21)11(17)9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3
InChIKey BUKRPEDOSMOQEB-UHFFFAOYSA-N
Mol Weight 291.26 g/mol
Molecular Formula C13H13N3O5
Exact Mass 291.085521 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 621ZgJ6U1Ol
Name 3-methyl-1,5-dinitro-2,3,4,5-tetrahydro-1,5-methanobenzo[d]azocin-6(1H)-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.085520526 u
Formula C13H13N3O5
InChI InChI=1S/C13H13N3O5/c1-14-7-12(15(18)19)6-13(8-14,16(20)21)11(17)9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3
InChIKey BUKRPEDOSMOQEB-UHFFFAOYSA-N
Molecular Weight 291.263 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17253
Solvent DMSO-d6
Source Vendor ID: NMR/10322362; Lab Info: ATR; Lab Number: ATR-EN00004