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4-Oxo-3-tosylheptanal
SpectraBase Compound ID 1iq295Sv9kN
InChI InChI=1S/C14H18O4S/c1-3-4-13(16)14(9-10-15)19(17,18)12-7-5-11(2)6-8-12/h5-8,10,14H,3-4,9H2,1-2H3
InChIKey PLVBELJSAKOJHG-UHFFFAOYSA-N
Mol Weight 282.35 g/mol
Molecular Formula C14H18O4S
Exact Mass 282.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID S653PmiSis
Name 4-Oxo-3-tosylheptanal
Alternate Name(s) 3-[(4-methylphenyl)sulfonyl]-4-oxoheptanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4S
InChI InChI=1S/C14H18O4S/c1-3-4-13(16)14(9-10-15)19(17,18)12-7-5-11(2)6-8-12/h5-8,10,14H,3-4,9H2,1-2H3
InChIKey PLVBELJSAKOJHG-UHFFFAOYSA-N
Molecular Weight 282.354 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C(=O)CCC)CC=O
SPLASH splash10-0006-9200000000-abdb3bbe3878ca7a850b
Source of Spectrum F-51-2771-10
Wiley ID 791116