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2-(1,3-benzodioxol-5-yl)-9-chloro-5-[4-(methylsulfanyl)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
SpectraBase Compound ID 68aAa00vKOU
InChI InChI=1S/C24H19ClN2O3S/c1-31-17-6-2-14(3-7-17)24-27-20(18-11-16(25)5-9-21(18)30-24)12-19(26-27)15-4-8-22-23(10-15)29-13-28-22/h2-11,20,24H,12-13H2,1H3
InChIKey QLMCTJYHJOFIHO-UHFFFAOYSA-N
Mol Weight 450.94 g/mol
Molecular Formula C24H19ClN2O3S
Exact Mass 450.080491 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lh9v7ybVVdW
Name 2-(1,3-benzodioxol-5-yl)-9-chloro-5-[4-(methylsulfanyl)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
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/C24H19ClN2O3S/c1-31-17-6-2-14(3-7-17)24-27-20(18-11-16(25)5-9-21(18)30-24)12-19(26-27)15-4-8-22-23(10-15)29-13-28-22/h2-11,20,24H,12-13H2,1H3
InChIKey QLMCTJYHJOFIHO-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13640
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: D88428; Labnumber: ExRud-02769; SBI_ID: SBI-013643
Synonyms 4-[2-(1,3-benzodioxol-5-yl)-9-chloro-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl sulfide
Temperature 308 °C