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5-[(4-methylphenyl)sulfanyl]-6H-anthra[1,9-cd]isoxazol-6-one
SpectraBase Compound ID LT3kGN1XKug
InChI InChI=1S/C21H13NO2S/c1-12-6-8-13(9-7-12)25-17-11-10-16-18-19(17)20(23)14-4-2-3-5-15(14)21(18)24-22-16/h2-11H,1H3
InChIKey XFRAUAAVDZSDNV-UHFFFAOYSA-N
Mol Weight 343.4 g/mol
Molecular Formula C21H13NO2S
Exact Mass 343.0667 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BFHGDjrA6Ci
Name 5-[(4-methylphenyl)sulfanyl]-6H-anthra[1,9-cd]isoxazol-6-one
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/C21H13NO2S/c1-12-6-8-13(9-7-12)25-17-11-10-16-18-19(17)20(23)14-4-2-3-5-15(14)21(18)24-22-16/h2-11H,1H3
InChIKey XFRAUAAVDZSDNV-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_11814
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: 802657; Labnumber: RKGOR-041; VK_ID: VK-011819
Temperature 308 °C