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4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
SpectraBase Compound ID 7GQZBpIMJpy
InChI InChI=1S/C31H30N4O2S/c1-3-37-25-18-12-21(13-19-25)27-26-11-7-8-20-34-29(22-14-16-24(36-2)17-15-22)33-35(31(26)34)28(27)30(38)32-23-9-5-4-6-10-23/h4-6,9-10,12-19H,3,7-8,11,20H2,1-2H3,(H,32,38)
InChIKey TZCDAEODOLXJGT-UHFFFAOYSA-N
Mol Weight 522.67 g/mol
Molecular Formula C31H30N4O2S
Exact Mass 522.208947 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AFuAZ19RKhT
Name 4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
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/C31H30N4O2S/c1-3-37-25-18-12-21(13-19-25)27-26-11-7-8-20-34-29(22-14-16-24(36-2)17-15-22)33-35(31(26)34)28(27)30(38)32-23-9-5-4-6-10-23/h4-6,9-10,12-19H,3,7-8,11,20H2,1-2H3,(H,32,38)
InChIKey TZCDAEODOLXJGT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5583
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/11221859; Labnumber: 0826; IOH_ID: IOH-005584