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7,9-dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

7,9-dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one
SpectraBase Compound ID 3wpRaqrzpyg
InChI InChI=1S/C9H8N4O5/c14-9-6-3-5(12(15)16)4-7(13(17)18)8(6)10-1-2-11-9/h3-4,10H,1-2H2,(H,11,14)
InChIKey DURANIMFVQVBFK-UHFFFAOYSA-N
Mol Weight 252.19 g/mol
Molecular Formula C9H8N4O5
Exact Mass 252.049469 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EE1YzDqCTl8
Name 7,9-dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one
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/C9H8N4O5/c14-9-6-3-5(12(15)16)4-7(13(17)18)8(6)10-1-2-11-9/h3-4,10H,1-2H2,(H,11,14)
InChIKey DURANIMFVQVBFK-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_4285
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: NMR/8315698; Labnumber: LP-0502068; IOH_ID: IOH-004286
Temperature 303 °C