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2-(azepan-1-yl)-3,5-dinitrobenzoate

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2-(azepan-1-yl)-3,5-dinitrobenzoate
SpectraBase Compound ID 31724Q4YcXe
InChI InChI=1S/C13H15N3O6/c17-13(18)10-7-9(15(19)20)8-11(16(21)22)12(10)14-5-3-1-2-4-6-14/h7-8H,1-6H2,(H,17,18)/p-1
InChIKey MSGUQZMZKLOPMQ-UHFFFAOYSA-M
Mol Weight 308.27 g/mol
Molecular Formula C13H14N3O6
Exact Mass 308.08826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 26XtKKuT9am
Name 2-(azepan-1-yl)-3,5-dinitrobenzoate
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/C13H15N3O6/c17-13(18)10-7-9(15(19)20)8-11(16(21)22)12(10)14-5-3-1-2-4-6-14/h7-8H,1-6H2,(H,17,18)/p-1
InChIKey MSGUQZMZKLOPMQ-UHFFFAOYSA-M
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_1282
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/8315706; Labnumber: LP-0502095
Temperature 303 °C