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9-bromo-1'-(methylsulfonyl)-2-phenyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]
SpectraBase Compound ID B1ut6mmfc9t
InChI InChI=1S/C21H22BrN3O3S/c1-29(26,27)24-11-9-21(10-12-24)25-19(17-13-16(22)7-8-20(17)28-21)14-18(23-25)15-5-3-2-4-6-15/h2-8,13,19H,9-12,14H2,1H3
InChIKey IDXXAPJFUUAUKD-UHFFFAOYSA-N
Mol Weight 476.39 g/mol
Molecular Formula C21H22BrN3O3S
Exact Mass 475.056526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LnTEJxHb3hn
Name 9-bromo-1'-(methylsulfonyl)-2-phenyl-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/C21H22BrN3O3S/c1-29(26,27)24-11-9-21(10-12-24)25-19(17-13-16(22)7-8-20(17)28-21)14-18(23-25)15-5-3-2-4-6-15/h2-8,13,19H,9-12,14H2,1H3
InChIKey IDXXAPJFUUAUKD-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27681
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: D71217; Labnumber: GELNC-711; SBI_ID: SBI-027685
Temperature 306 °C