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7-Oxoheptyl p-toleuenesulfonate

View entire compound with spectra: 1 MS (GC)

7-Oxoheptyl p-toleuenesulfonate
SpectraBase Compound ID B4H0CunNmyf
InChI InChI=1S/C14H20O4S/c1-13-7-9-14(10-8-13)19(16,17)18-12-6-4-2-3-5-11-15/h7-11H,2-6,12H2,1H3
InChIKey TXAVTGHUCGFTCW-UHFFFAOYSA-N
Mol Weight 284.37 g/mol
Molecular Formula C14H20O4S
Exact Mass 284.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qIneh2nkew
Name 7-Oxoheptyl p-toleuenesulfonate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4S
InChI InChI=1S/C14H20O4S/c1-13-7-9-14(10-8-13)19(16,17)18-12-6-4-2-3-5-11-15/h7-11H,2-6,12H2,1H3
InChIKey TXAVTGHUCGFTCW-UHFFFAOYSA-N
Molecular Weight 284.370 g/mol
SMILES c1(S(=O)(=O)OCCCCCCC=O)ccc(cc1)C
SPLASH splash10-00di-0900000000-bc8052bfae1c5c72f453
Source of Spectrum F-56-7937-30
Synonyms 7-Oxoheptyl p-toluenesulfonate 4-methylbenzenesulfonic acid 7-oxoheptyl ester 7-oxoheptyl 4-methylbenzenesulfonate 7-oxidanylideneheptyl 4-methylbenzenesulfonate
Wiley ID 858728