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9,10-anthracenedione, 3-[[4-(1,1-dimethylethyl)phenyl]thio]-1-(1-piperidinyl)-
SpectraBase Compound ID IsxVo9BWHGg
InChI InChI=1S/C29H29NO2S/c1-29(2,3)19-11-13-20(14-12-19)33-21-17-24-26(25(18-21)30-15-7-4-8-16-30)28(32)23-10-6-5-9-22(23)27(24)31/h5-6,9-14,17-18H,4,7-8,15-16H2,1-3H3
InChIKey HPRPURUGZQJVJE-UHFFFAOYSA-N
Mol Weight 455.62 g/mol
Molecular Formula C29H29NO2S
Exact Mass 455.1919 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GFp61hVvhBN
Name 9,10-anthracenedione, 3-[[4-(1,1-dimethylethyl)phenyl]thio]-1-(1-piperidinyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.191900350 u
Formula C29H29NO2S
InChI InChI=1S/C29H29NO2S/c1-29(2,3)19-11-13-20(14-12-19)33-21-17-24-26(25(18-21)30-15-7-4-8-16-30)28(32)23-10-6-5-9-22(23)27(24)31/h5-6,9-14,17-18H,4,7-8,15-16H2,1-3H3
InChIKey HPRPURUGZQJVJE-UHFFFAOYSA-N
Molecular Weight 455.616 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13309
Solvent DMSO-d6
Source Vendor ID: NMR/9244942; Lab Info: KLI; Lab Number: KLI-KL00005
Temperature 23.85 °C