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3-Azabicyclo[3.3.1]non-6-ene, 3-benzyl-6-(2-chloroethyl)-5,9-dinitro-
SpectraBase Compound ID GOG8Mpl2jpK
InChI InChI=1S/C17H20ClN3O5/c18-8-9-26-15-6-7-16(20(22)23)11-17(15,21(24)25)13-19(12-16)10-14-4-2-1-3-5-14/h1-6H,7-13H2
InChIKey XLXZSWPVZWFUCK-UHFFFAOYSA-N
Mol Weight 381.82 g/mol
Molecular Formula C17H20ClN3O5
Exact Mass 381.109148 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L0X6EjIGqlh
Name 3-benzyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-6-yl 2-chloroethyl ether
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/C17H20ClN3O5/c18-8-9-26-15-6-7-16(20(22)23)11-17(15,21(24)25)13-19(12-16)10-14-4-2-1-3-5-14/h1-6H,7-13H2
InChIKey XLXZSWPVZWFUCK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8906
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/9038891; UBI_ID: UBI-008909
Synonyms 3-benzyl-6-(2-chloroethoxy)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene
Temperature 318 °C