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9-bromo-2-(4-chlorophenyl)-1'-(methylsulfonyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]
SpectraBase Compound ID 88UZu3iRdrb
InChI InChI=1S/C21H21BrClN3O3S/c1-30(27,28)25-10-8-21(9-11-25)26-19(17-12-15(22)4-7-20(17)29-21)13-18(24-26)14-2-5-16(23)6-3-14/h2-7,12,19H,8-11,13H2,1H3
InChIKey WQRSJWYIFNIYLJ-UHFFFAOYSA-N
Mol Weight 510.83 g/mol
Molecular Formula C21H21BrClN3O3S
Exact Mass 509.017553 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9c211pODL6w
Name 9-bromo-2-(4-chlorophenyl)-1'-(methylsulfonyl)-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/C21H21BrClN3O3S/c1-30(27,28)25-10-8-21(9-11-25)26-19(17-12-15(22)4-7-20(17)29-21)13-18(24-26)14-2-5-16(23)6-3-14/h2-7,12,19H,8-11,13H2,1H3
InChIKey WQRSJWYIFNIYLJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22149
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: D58701; Labnumber: GELNC-635; SBI_ID: SBI-022153
Temperature 315 °C