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4-(Ethoxycarbonyl)-2-(phenylsulfonyl)cyclohepta-2,4,6-triene-1-ol
SpectraBase Compound ID 7tpOvwBmeKg
InChI InChI=1S/C16H16O5S/c1-2-21-16(18)12-7-6-10-14(17)15(11-12)22(19,20)13-8-4-3-5-9-13/h3-11,14,17H,2H2,1H3
InChIKey PUEFUPVARIENMN-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 Cp23Q2Fv4lK
Name 4-(Ethoxycarbonyl)-2-(phenylsulfonyl)cyclohepta-2,4,6-triene-1-ol
Alternate Name(s) Ethyl 5-hydroxy-6-(phenylsulfonyl)-1,3,6-cycloheptatriene-1-carboxylate
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Formula C16H16O5S
InChI InChI=1S/C16H16O5S/c1-2-21-16(18)12-7-6-10-14(17)15(11-12)22(19,20)13-8-4-3-5-9-13/h3-11,14,17H,2H2,1H3
InChIKey PUEFUPVARIENMN-UHFFFAOYSA-N
Molecular Weight 320.359 g/mol
SMILES OC1C(S(=O)(=O)c2ccccc2)=CC(C(=O)OCC)=CC=C1
SPLASH splash10-0a6s-3920000000-e088c39bda8837fca6bb
Source of Spectrum J-56-6446-10
Wiley ID 1319914