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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dVBkNHIYya
Name 3-([(4-Methylphenyl)sulfonyl]methyl)-2H-1,4-benzoxazin-2-one
CAS Registry Number 309277-26-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO4S
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
Molecular Weight 315.343 g/mol
SMILES C1(=Nc2ccccc2OC1=O)CS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0gx3-8930000000-abd646903993dd9ce280
Source of Spectrum AD-0-2532-0
Synonyms 2H-Benz[b]1,4-oxazin-2-one, 3-(4-methylphenylsulfonylmethyl)- 3-(p-tolylsulfonylmethyl)-1,4-benzoxazin-2-one 3-(tosylmethyl)-1,4-benzoxazin-2-one 3-[(4-methylphenyl)sulfonylmethyl]-1,4-benzoxazin-2-one
Wiley ID 1428139