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2-(tritylthio)ethanaminium 2,4,6-trinitrophenolate

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2-(tritylthio)ethanaminium 2,4,6-trinitrophenolate
SpectraBase Compound ID 3KNQTo5By31
InChI InChI=1S/C21H21NS.C6H3N3O7/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-15H,16-17,22H2;1-2,10H
InChIKey DVIZEFXTODANIK-UHFFFAOYSA-N
Mol Weight 548.57 g/mol
Molecular Formula C27H24N4O7S
Exact Mass 548.13657 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JBvqCLbU9Ln
Name 2-(tritylthio)ethanaminium 2,4,6-trinitrophenolate
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/C21H21NS.C6H3N3O7/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-15H,16-17,22H2;1-2,10H
InChIKey DVIZEFXTODANIK-UHFFFAOYSA-N
NMR Offset 15.2038
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_8516_6166
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: AG-205/3636014; Labnumber: R/9410-027; IOH_ID: IOH-013169
Temperature 297 °C