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3-([(4-Methylphenyl)sulfonyl]methyl)-2H-1,4-benzoxazin-2-one
SpectraBase Compound ID 1kMLGY2Sqf6
InChI InChI=1S/C16H13NO4S/c1-11-6-8-12(9-7-11)22(19,20)10-14-16(18)21-15-5-3-2-4-13(15)17-14/h2-9H,10H2,1H3
InChIKey JCYBOBIHKCXWSU-UHFFFAOYSA-N
Mol Weight 315.34 g/mol
Molecular Formula C16H13NO4S
Exact Mass 315.056529 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F3BSEKloqBi
Name 3-{[(4-methylphenyl)sulfonyl]methyl}-2H-1,4-benzoxazin-2-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/C16H13NO4S/c1-11-6-8-12(9-7-11)22(19,20)10-14-16(18)21-15-5-3-2-4-13(15)17-14/h2-9H,10H2,1H3
InChIKey JCYBOBIHKCXWSU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_919
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: ZI/8012948; Labnumber: KH-0000365