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1'-(methylsulfonyl)-2-(pyridin-4-yl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]
SpectraBase Compound ID 3XckuZTT6Vg
InChI InChI=1S/C20H22N4O3S/c1-28(25,26)23-12-8-20(9-13-23)24-18(16-4-2-3-5-19(16)27-20)14-17(22-24)15-6-10-21-11-7-15/h2-7,10-11,18H,8-9,12-14H2,1H3
InChIKey ALAGCVJFQNLILV-UHFFFAOYSA-N
Mol Weight 398.48 g/mol
Molecular Formula C20H22N4O3S
Exact Mass 398.141262 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5d5ryJ0Gct5
Name 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/C20H22N4O3S/c1-28(25,26)23-12-8-20(9-13-23)24-18(16-4-2-3-5-19(16)27-20)14-17(22-24)15-6-10-21-11-7-15/h2-7,10-11,18H,8-9,12-14H2,1H3
InChIKey ALAGCVJFQNLILV-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27684
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: D71221; Labnumber: GELNC-715; SBI_ID: SBI-027688
Temperature 306 °C