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(5-oxidanylidenecyclohepta-1,3,6-trien-1-yl) 4-methylbenzenesulfonate
SpectraBase Compound ID EnZ9tQJeVZs
InChI InChI=1S/C14H12O4S/c1-11-5-9-14(10-6-11)19(16,17)18-13-4-2-3-12(15)7-8-13/h2-10H,1H3
InChIKey CZDQLBKGJBDREW-UHFFFAOYSA-N
Mol Weight 276.31 g/mol
Molecular Formula C14H12O4S
Exact Mass 276.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdG5wtI8quU
Name (5-oxidanylidenecyclohepta-1,3,6-trien-1-yl) 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O4S
InChI InChI=1S/C14H12O4S/c1-11-5-9-14(10-6-11)19(16,17)18-13-4-2-3-12(15)7-8-13/h2-10H,1H3
InChIKey CZDQLBKGJBDREW-UHFFFAOYSA-N
Molecular Weight 276.306 g/mol
SMILES C=1(OS(c2ccc(cc2)C)(=O)=O)C=CC(=O)C=CC1
SPLASH splash10-052f-9620000000-2ec863277a196d9ff754
Source of Spectrum AJ-66-2779-4
Synonyms (5-oxocyclohepta-1,3,6-trien-1-yl) 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (5-ketocyclohepta-1,3,6-trien-1-yl) ester 4-Methylbenzenesulfonic acid (5-oxo-1-cyclohepta-1,3,6-trienyl) ester
Wiley ID 772272