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4-(1'-acetyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-2-yl)-1-methylpyridin-1-ium iodide
SpectraBase Compound ID JbLRJ9lMTyD
InChI InChI=1S/C22H25N4O2.HI/c1-16(27)25-13-9-22(10-14-25)26-20(18-5-3-4-6-21(18)28-22)15-19(23-26)17-7-11-24(2)12-8-17;/h3-8,11-12,20H,9-10,13-15H2,1-2H3;1H/q+1;/p-1
InChIKey IYMUGONLSBWMGM-UHFFFAOYSA-M
Mol Weight 504.37 g/mol
Molecular Formula C22H25IN4O2
Exact Mass 504.102221 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FtIPaX9lNVC
Name 4-(1'-acetyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-2-yl)-1-methylpyridin-1-ium iodide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H25N4O2.HI/c1-16(27)25-13-9-22(10-14-25)26-20(18-5-3-4-6-21(18)28-22)15-19(23-26)17-7-11-24(2)12-8-17;/h3-8,11-12,20H,9-10,13-15H2,1-2H3;1H/q+1;/p-1
InChIKey IYMUGONLSBWMGM-UHFFFAOYSA-M
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17500
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D28547; Labnumber: GELNC-391; SBI_ID: SBI-017503
Temperature 315 °C