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3H-1,2,4-triazole-3-thione, 2,4-dihydro-5-(phenoxymethyl)-4-phenyl-2-(9H-xanthen-9-yl)-
SpectraBase Compound ID 5kSSkXPEFsd
InChI InChI=1S/C28H21N3O2S/c34-28-30(20-11-3-1-4-12-20)26(19-32-21-13-5-2-6-14-21)29-31(28)27-22-15-7-9-17-24(22)33-25-18-10-8-16-23(25)27/h1-18,27H,19H2
InChIKey IJZJUAIAIJAYCL-UHFFFAOYSA-N
Mol Weight 463.56 g/mol
Molecular Formula C28H21N3O2S
Exact Mass 463.135448 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AzdXfwxjg0J
Name 3H-1,2,4-triazole-3-thione, 2,4-dihydro-5-(phenoxymethyl)-4-phenyl-2-(9H-xanthen-9-yl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.135448100 u
Formula C28H21N3O2S
InChI InChI=1S/C28H21N3O2S/c34-28-30(20-11-3-1-4-12-20)26(19-32-21-13-5-2-6-14-21)29-31(28)27-22-15-7-9-17-24(22)33-25-18-10-8-16-23(25)27/h1-18,27H,19H2
InChIKey IJZJUAIAIJAYCL-UHFFFAOYSA-N
Molecular Weight 463.555 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3765
Solvent DMSO-d6
Source Vendor ID: ZI/8135196; Lab Info: LP; Lab Number: LP-2080602
Temperature 29.85 °C