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1-(Methylphenylamino)-4,4-bis(phenylsulfonyl)-1-cyclobutene
SpectraBase Compound ID ESfn4rcNEx2
InChI InChI=1S/C23H21NO4S2/c1-24(19-11-5-2-6-12-19)22-17-18-23(22,29(25,26)20-13-7-3-8-14-20)30(27,28)21-15-9-4-10-16-21/h2-17H,18H2,1H3
InChIKey FNYITYHHOZOABA-UHFFFAOYSA-N
Mol Weight 439.54 g/mol
Molecular Formula C23H21NO4S2
Exact Mass 439.091201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2GiafMTVsO
Name 1-(Methylphenylamino)-4,4-bis(phenylsulfonyl)-1-cyclobutene
Alternate Name(s) N-(4,4-bis(phenylsulfonyl)cyclobut-1-en-1-yl)-N-methylaniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21NO4S2
InChI InChI=1S/C23H21NO4S2/c1-24(19-11-5-2-6-12-19)22-17-18-23(22,29(25,26)20-13-7-3-8-14-20)30(27,28)21-15-9-4-10-16-21/h2-17H,18H2,1H3
InChIKey FNYITYHHOZOABA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19881211125
Molecular Weight 439.544 g/mol
SMILES C=1(C(CC1)(S(=O)(c1ccccc1)=O)S(c1ccccc1)(=O)=O)N(c1ccccc1)C
SPLASH splash10-0a4i-2910000000-15a83d9d61983902ba7c
Source of Spectrum K-121-2056-6c
Wiley ID 1794549