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4-(4-Methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonitrile
SpectraBase Compound ID 62dvQXZuG8J
InChI InChI=1S/C16H14N2O3S/c1-12-6-8-14(9-7-12)22(19,20)18-11-13(10-17)21-16-5-3-2-4-15(16)18/h2-9,13H,11H2,1H3
InChIKey KNIXMBRQMBRVAI-UHFFFAOYSA-N
Mol Weight 314.36 g/mol
Molecular Formula C16H14N2O3S
Exact Mass 314.072513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DPu3Rv8DyY
Name 4-(4-Methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonitrile
CAS Registry Number 86267-87-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N2O3S
InChI InChI=1S/C16H14N2O3S/c1-12-6-8-14(9-7-12)22(19,20)18-11-13(10-17)21-16-5-3-2-4-15(16)18/h2-9,13H,11H2,1H3
InChIKey KNIXMBRQMBRVAI-UHFFFAOYSA-N
Molecular Weight 314.359 g/mol
SMILES c12N(S(c3ccc(cc3)C)(=O)=O)CC(Oc1cccc2)C#N
SPLASH splash10-0a4l-4903000000-a4b16ef03bf83f5c7475
Source of Spectrum Y-20-47-0
Synonyms 4-(p-tolylsulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carbonitrile 4-Tosyl-2,3-dihydro-1,4-benzoxazine-2-carbonitrile
Wiley ID 1314857