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4-Benzyl-5-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID 94dqwdcbVE5
InChI InChI=1S/C23H25ClN4O2S/c24-20-8-6-19(7-9-20)21-25-28(22(31)27(21)16-18-4-2-1-3-5-18)17-26-12-10-23(11-13-26)29-14-15-30-23/h1-9H,10-17H2
InChIKey NVGBGTRJMCTIJH-UHFFFAOYSA-N
Mol Weight 456.99 g/mol
Molecular Formula C23H25ClN4O2S
Exact Mass 456.138675 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kh6QHOIcbK7
Name 3H-1,2,4-triazole-3-thione, 5-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-2,4-dihydro-4-(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 456.138674933 u
Formula C23H25ClN4O2S
InChI InChI=1S/C23H25ClN4O2S/c24-20-8-6-19(7-9-20)21-25-28(22(31)27(21)16-18-4-2-1-3-5-18)17-26-12-10-23(11-13-26)29-14-15-30-23/h1-9H,10-17H2
InChIKey NVGBGTRJMCTIJH-UHFFFAOYSA-N
Molecular Weight 456.992 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14171
Solvent DMSO-d6
Source Vendor ID: NMR/10300416; Lab Info: LP; Lab Number: LP-2181254