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4-(4-chlorophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
SpectraBase Compound ID H4iUqRNxtT5
InChI InChI=1S/C22H20ClN3O/c1-27-18-11-7-16(8-12-18)21-24-26-14-20(15-5-9-17(23)10-6-15)19-4-2-3-13-25(21)22(19)26/h5-12,14H,2-4,13H2,1H3
InChIKey AJMCIDCKLKESOI-UHFFFAOYSA-N
Mol Weight 377.88 g/mol
Molecular Formula C22H20ClN3O
Exact Mass 377.12949 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1PTcereMgqN
Name 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
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/C22H20ClN3O/c1-27-18-11-7-16(8-12-18)21-24-26-14-20(15-5-9-17(23)10-6-15)19-4-2-3-13-25(21)22(19)26/h5-12,14H,2-4,13H2,1H3
InChIKey AJMCIDCKLKESOI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5517
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/11221720; Labnumber: 0678; IOH_ID: IOH-005518
Synonyms 4-[4-(4-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulen-1-yl]phenyl methyl ether