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9-bromo-1'-(methylsulfonyl)-2-(pyridin-4-yl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]
SpectraBase Compound ID XM7xs2y63O
InChI InChI=1S/C20H21BrN4O3S/c1-29(26,27)24-10-6-20(7-11-24)25-18(16-12-15(21)2-3-19(16)28-20)13-17(23-25)14-4-8-22-9-5-14/h2-5,8-9,12,18H,6-7,10-11,13H2,1H3
InChIKey NGNFHADMKSEEGI-UHFFFAOYSA-N
Mol Weight 477.38 g/mol
Molecular Formula C20H21BrN4O3S
Exact Mass 476.051775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CFwMbvBdX6e
Name 9-bromo-1'-(methylsulfonyl)-2-(pyridin-4-yl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]
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/C20H21BrN4O3S/c1-29(26,27)24-10-6-20(7-11-24)25-18(16-12-15(21)2-3-19(16)28-20)13-17(23-25)14-4-8-22-9-5-14/h2-5,8-9,12,18H,6-7,10-11,13H2,1H3
InChIKey NGNFHADMKSEEGI-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22148
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: D58699; Labnumber: GELNC-633; SBI_ID: SBI-022152
Temperature 315 °C