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3H-1,2,4-triazole-3-thione, 2,4-dihydro-4-methyl-5-(phenoxymethyl)-2-(9H-xanthen-9-yl)-

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3H-1,2,4-triazole-3-thione, 2,4-dihydro-4-methyl-5-(phenoxymethyl)-2-(9H-xanthen-9-yl)-
SpectraBase Compound ID HDLrwRinJS0
InChI InChI=1S/C23H19N3O2S/c1-25-21(15-27-16-9-3-2-4-10-16)24-26(23(25)29)22-17-11-5-7-13-19(17)28-20-14-8-6-12-18(20)22/h2-14,22H,15H2,1H3
InChIKey FWIFXZAPMPMQCM-UHFFFAOYSA-N
Mol Weight 401.48 g/mol
Molecular Formula C23H19N3O2S
Exact Mass 401.119798 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5E1CwwBNU43
Name 3H-1,2,4-triazole-3-thione, 2,4-dihydro-4-methyl-5-(phenoxymethyl)-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 401.119798036 u
Formula C23H19N3O2S
InChI InChI=1S/C23H19N3O2S/c1-25-21(15-27-16-9-3-2-4-10-16)24-26(23(25)29)22-17-11-5-7-13-19(17)28-20-14-8-6-12-18(20)22/h2-14,22H,15H2,1H3
InChIKey FWIFXZAPMPMQCM-UHFFFAOYSA-N
Molecular Weight 401.484 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3766
Solvent DMSO-d6
Source Vendor ID: ZI/8135644; Lab Info: LP; Lab Number: LP-2080578
Temperature 29.85 °C