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N-(4-chloro-3-nitrophenyl)-3-(3-chloro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide

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N-(4-chloro-3-nitrophenyl)-3-(3-chloro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID 9pmYuk8l7Bg
InChI InChI=1S/C19H19Cl2N5O3/c20-14-2-1-13(4-15(14)26(28)29)23-16(27)18-5-11-3-12(6-18)8-19(7-11,9-18)25-10-22-17(21)24-25/h1-2,4,10-12H,3,5-9H2,(H,23,27)
InChIKey VMMDEMKEAURXQS-UHFFFAOYSA-N
Mol Weight 436.3 g/mol
Molecular Formula C19H19Cl2N5O3
Exact Mass 435.086495 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CpG5500us5E
Name N-(4-chloro-3-nitrophenyl)-3-(3-chloro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
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/C19H19Cl2N5O3/c20-14-2-1-13(4-15(14)26(28)29)23-16(27)18-5-11-3-12(6-18)8-19(7-11,9-18)25-10-22-17(21)24-25/h1-2,4,10-12H,3,5-9H2,(H,23,27)
InChIKey VMMDEMKEAURXQS-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20033
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/9156527; UBI_ID: UBI-020037
Temperature 308 °C