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7-chloro-5-hexahydro-1H-azepin-1-yl-4-nitro-2,1,3-benzoxadiazole
SpectraBase Compound ID 3LHq8Jb8DUO
InChI InChI=1S/C12H13ClN4O3/c13-8-7-9(16-5-3-1-2-4-6-16)12(17(18)19)11-10(8)14-20-15-11/h7H,1-6H2
InChIKey KCAQWGCPKOACRC-UHFFFAOYSA-N
Mol Weight 296.71 g/mol
Molecular Formula C12H13ClN4O3
Exact Mass 296.067618 g/mol
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1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CLx049YNexj
Name 7-chloro-5-hexahydro-1H-azepin-1-yl-4-nitro-2,1,3-benzoxadiazole
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H13ClN4O3/c13-8-7-9(16-5-3-1-2-4-6-16)12(17(18)19)11-10(8)14-20-15-11/h7H,1-6H2
InChIKey KCAQWGCPKOACRC-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12263
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: D69100; Labnumber: LEVRSB-021; SBI_ID: SBI-012266
Temperature 306 °C
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