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4-Oxo-3-tosylheptanoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Oxo-3-tosylheptanoic acid
SpectraBase Compound ID HuLeLYtPCa3
InChI InChI=1S/C14H18O5S/c1-3-4-12(15)13(9-14(16)17)20(18,19)11-7-5-10(2)6-8-11/h5-8,13H,3-4,9H2,1-2H3,(H,16,17)
InChIKey VELGBJFJTVQDJH-UHFFFAOYSA-N
Mol Weight 298.35 g/mol
Molecular Formula C14H18O5S
Exact Mass 298.087495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cymLADR8C
Name 4-Oxo-3-tosylheptanoic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O5S
InChI InChI=1S/C14H18O5S/c1-3-4-12(15)13(9-14(16)17)20(18,19)11-7-5-10(2)6-8-11/h5-8,13H,3-4,9H2,1-2H3,(H,16,17)
InChIKey VELGBJFJTVQDJH-UHFFFAOYSA-N
Molecular Weight 298.353 g/mol
SMILES OC(CC(S(c1ccc(cc1)C)(=O)=O)C(=O)CCC)=O
SPLASH splash10-006x-9010000000-bcd1bf8fe941df5553d1
Source of Spectrum J-59-3207-12
Synonyms 3-[(4-methylphenyl)sulfonyl]-4-oxoheptanoic acid
Wiley ID 1300652