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3-[(2,4-dichlorophenoxy)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
SpectraBase Compound ID HnR7AZF9tPC
InChI InChI=1S/C14H15Cl2N3O/c15-10-5-6-12(11(16)8-10)20-9-14-18-17-13-4-2-1-3-7-19(13)14/h5-6,8H,1-4,7,9H2
InChIKey JVNYZOJQUUWJHV-UHFFFAOYSA-N
Mol Weight 312.2 g/mol
Molecular Formula C14H15Cl2N3O
Exact Mass 311.059218 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CVyZUYx72Uv
Name 3-[(2,4-dichlorophenoxy)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
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/C14H15Cl2N3O/c15-10-5-6-12(11(16)8-10)20-9-14-18-17-13-4-2-1-3-7-19(13)14/h5-6,8H,1-4,7,9H2
InChIKey JVNYZOJQUUWJHV-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9824
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: 128559; Labnumber: EX00112585; VK_ID: VK-009828
Synonyms 2,4-dichlorophenyl 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl ether
Temperature 315 °C