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4-Phenyl-4-oxo-3-tosylbutanal
SpectraBase Compound ID CRkACjevHDC
InChI InChI=1S/C17H16O4S/c1-13-7-9-15(10-8-13)22(20,21)16(11-12-18)17(19)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3
InChIKey MMBPNPNFMVNHSQ-UHFFFAOYSA-N
Mol Weight 316.37 g/mol
Molecular Formula C17H16O4S
Exact Mass 316.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KovBah0rKg2
Name 4-Phenyl-4-oxo-3-tosylbutanal
Alternate Name(s) 3-[(4-methylphenyl)sulfonyl]-4-oxo-4-phenylbutanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O4S
InChI InChI=1S/C17H16O4S/c1-13-7-9-15(10-8-13)22(20,21)16(11-12-18)17(19)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3
InChIKey MMBPNPNFMVNHSQ-UHFFFAOYSA-N
Molecular Weight 316.371 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C(=O)c1ccccc1)CC=O
SPLASH splash10-0a4i-9700000000-feb9bd25734295572a1f
Source of Spectrum F-51-2771-10
Wiley ID 791414