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3-(N-Tosylamino)-3-(4'-chlorophenyl)-2-methylpropanal
SpectraBase Compound ID 2iT5yxmzTL
InChI InChI=1S/C17H18ClNO3S/c1-12-3-9-16(10-4-12)23(21,22)19-17(13(2)11-20)14-5-7-15(18)8-6-14/h3-11,13,17,19H,1-2H3
InChIKey BQYDLNVJXNSFOV-UHFFFAOYSA-N
Mol Weight 351.85 g/mol
Molecular Formula C17H18ClNO3S
Exact Mass 351.069592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID l9lPMfdHE
Name 3-(N-Tosylamino)-3-(4'-chlorophenyl)-2-methylpropanal
Alternate Name(s) N-[1-(4-chlorophenyl)-2-methyl-3-oxopropyl]-4-methylbenzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18ClNO3S
InChI InChI=1S/C17H18ClNO3S/c1-12-3-9-16(10-4-12)23(21,22)19-17(13(2)11-20)14-5-7-15(18)8-6-14/h3-11,13,17,19H,1-2H3
InChIKey BQYDLNVJXNSFOV-UHFFFAOYSA-N
Molecular Weight 351.848 g/mol
SMILES N(C(C(C=O)C)c1ccc(cc1)Cl)S(=O)(=O)c1ccc(C)cc1
SPLASH splash10-01ox-9080000000-97f59f0ead074ab1cc0f
Source of Spectrum K-2002-1488-5
Wiley ID 1581352