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1-{1'-[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-[1,4'-bipiperidin]-4'-yl}ethan-1-one
SpectraBase Compound ID LLw7U1ADzPE
InChI InChI=1S/C19H27N7O4S/c1-30-17-13-15(5-6-16(17)26-14-21-22-23-26)31(28,29)25-11-7-19(8-12-25,18(20)27)24-9-3-2-4-10-24/h5-6,13-14H,2-4,7-12H2,1H3,(H2,20,27)
InChIKey CDFMZCHHFSUGET-UHFFFAOYSA-N
Mol Weight 449.53 g/mol
Molecular Formula C19H27N7O4S
Exact Mass 449.184524 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1Tzo0mXo9hc
Name 1-{1'-[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-[1,4'-bipiperidin]-4'-yl}ethan-1-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.184523547 u
Formula C19H27N7O4S
InChI InChI=1S/C19H27N7O4S/c1-30-17-13-15(5-6-16(17)26-14-21-22-23-26)31(28,29)25-11-7-19(8-12-25,18(20)27)24-9-3-2-4-10-24/h5-6,13-14H,2-4,7-12H2,1H3,(H2,20,27)
InChIKey CDFMZCHHFSUGET-UHFFFAOYSA-N
Molecular Weight 449.530 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_8305
Solvent DMSO-d6
Source Vendor ID: NMR/13309219