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benzoic acid, 4-(hexahydro-1H-azepin-1-yl)-3,5-dinitro-

View entire compound with spectra: 1 NMR

benzoic acid, 4-(hexahydro-1H-azepin-1-yl)-3,5-dinitro-
SpectraBase Compound ID 4NhUx8bKrc4
InChI InChI=1S/C13H15N3O6/c17-13(18)9-7-10(15(19)20)12(11(8-9)16(21)22)14-5-3-1-2-4-6-14/h7-8H,1-6H2,(H,17,18)
InChIKey NCEBNZBEHVDCGN-UHFFFAOYSA-N
Mol Weight 309.28 g/mol
Molecular Formula C13H15N3O6
Exact Mass 309.096085 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C0DX7xhosrc
Name benzoic acid, 4-(hexahydro-1H-azepin-1-yl)-3,5-dinitro-
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)9-7-10(15(19)20)12(11(8-9)16(21)22)14-5-3-1-2-4-6-14/h7-8H,1-6H2,(H,17,18)
InChIKey NCEBNZBEHVDCGN-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_CB_8313_1089
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/8295185; Labnumber: LP-0502047
Temperature 297 °C