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4-Amino-3-methyl-4-[(p-tolylsulfonyl)methyl]-2,5-cyclohexadien-1-one
SpectraBase Compound ID 2wGFdFRdovZ
InChI InChI=1S/C15H17NO3S/c1-11-3-5-14(6-4-11)20(18,19)10-15(16)8-7-13(17)9-12(15)2/h3-9H,10,16H2,1-2H3
InChIKey YSGIKYQPVHCJDA-UHFFFAOYSA-N
Mol Weight 291.36 g/mol
Molecular Formula C15H17NO3S
Exact Mass 291.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qFb0BOrQK4
Name 4-Amino-3-methyl-4-[(p-tolylsulfonyl)methyl]-2,5-cyclohexadien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO3S
InChI InChI=1S/C15H17NO3S/c1-11-3-5-14(6-4-11)20(18,19)10-15(16)8-7-13(17)9-12(15)2/h3-9H,10,16H2,1-2H3
InChIKey YSGIKYQPVHCJDA-UHFFFAOYSA-N
Molecular Weight 291.365 g/mol
SMILES NC1(CS(c2ccc(cc2)C)(=O)=O)C(=CC(C=C1)=O)C
SPLASH splash10-052u-7900000000-3ad921f7470f9f2024fa
Source of Spectrum QE-14-630-20
Wiley ID 1713698