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Ethyl 4-Hydroxy-1-(phenylsulfonyl)cyclohepta-1,3,5-triene-3-carboxylate
SpectraBase Compound ID GELh7QJ1rOa
InChI InChI=1S/C16H16O5S/c1-2-21-16(18)14-11-13(9-6-10-15(14)17)22(19,20)12-7-4-3-5-8-12/h3-8,10-11,17H,2,9H2,1H3
InChIKey WOQOPHYHTRNZJD-UHFFFAOYSA-N
Mol Weight 320.36 g/mol
Molecular Formula C16H16O5S
Exact Mass 320.071845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nw5VTc2Wyq
Name Ethyl 4-Hydroxy-1-(phenylsulfonyl)cyclohepta-1,3,5-triene-3-carboxylate
CAS Registry Number 136175-77-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O5S
InChI InChI=1S/C16H16O5S/c1-2-21-16(18)14-11-13(9-6-10-15(14)17)22(19,20)12-7-4-3-5-8-12/h3-8,10-11,17H,2,9H2,1H3
InChIKey WOQOPHYHTRNZJD-UHFFFAOYSA-N
Molecular Weight 320.359 g/mol
SMILES OC1=C(C=C(S(=O)(=O)c2ccccc2)CC=C1)C(=O)OCC
SPLASH splash10-003r-0900000000-00c6c2e1e7e03691ca7d
Source of Spectrum J-56-6445-10
Synonyms Ethyl 2-hydroxy-6-(phenylsulfonyl)-1,3,6-cycloheptatriene-1-carboxylate
Wiley ID 1319913