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3H-1,2,4-triazole-3-thione, 2-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-2,4-dihydro-4-methyl-5-(phenylmethyl)-
SpectraBase Compound ID L7zgPnDAL0K
InChI InChI=1S/C28H31N5S/c1-30-26(21-23-11-5-2-6-12-23)29-33(28(30)34)22-31-17-19-32(20-18-31)27(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,27H,17-22H2,1H3
InChIKey RVLLGVCEKVAYHL-UHFFFAOYSA-N
Mol Weight 469.65 g/mol
Molecular Formula C28H31N5S
Exact Mass 469.230017 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L4Qmi50DozY
Name 3H-1,2,4-triazole-3-thione, 2-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-2,4-dihydro-4-methyl-5-(phenylmethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 469.230017192 u
Formula C28H31N5S
InChI InChI=1S/C28H31N5S/c1-30-26(21-23-11-5-2-6-12-23)29-33(28(30)34)22-31-17-19-32(20-18-31)27(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,27H,17-22H2,1H3
InChIKey RVLLGVCEKVAYHL-UHFFFAOYSA-N
Molecular Weight 469.651 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6842
Solvent DMSO-d6
Source Vendor ID: NMR/9313768; Lab Info: LP; Lab Number: LP-2191625