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1-C-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)pentitol
SpectraBase Compound ID 9a9SEhYknTw
InChI InChI=1S/C15H26N4O9/c1-13(2)14(18(25)26)4-16-6-15(13,19(27)28)7-17(5-14)12(16)11(24)10(23)9(22)8(21)3-20/h8-12,20-24H,3-7H2,1-2H3/t8?,9?,10?,11?,12?,14-,15+
InChIKey FQZUBSBSVVDWLO-MKEGAMFWSA-N
Mol Weight 406.39 g/mol
Molecular Formula C15H26N4O9
Exact Mass 406.169978 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 20iiID5BEWK
Name 1-C-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)pentitol
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.169978424 u
Formula C15H26N4O9
InChI InChI=1S/C15H26N4O9/c1-13(2)14(18(25)26)4-16-6-15(13,19(27)28)7-17(5-14)12(16)11(24)10(23)9(22)8(21)3-20/h8-12,20-24H,3-7H2,1-2H3/t8?,9?,10?,11?,12?,14-,15+
InChIKey FQZUBSBSVVDWLO-MKEGAMFWSA-N
Molecular Weight 406.392 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3796
Solvent DMSO-d6
Source Vendor ID: NMR/12308280