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5-Acetoxy-3-methoxy-4-phenyl-1-benzothiepin-1,1-dioxide
SpectraBase Compound ID 221a1d5Ukda
InChI InChI=1S/C19H16O5S/c1-13(20)24-19-15-10-6-7-11-17(15)25(21,22)12-16(23-2)18(19)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKey DKAYUCAJHHWKNS-UHFFFAOYSA-N
Mol Weight 356.39 g/mol
Molecular Formula C19H16O5S
Exact Mass 356.071845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YoaDa4aYld
Name 5-Acetoxy-3-methoxy-4-phenyl-1-benzothiepin-1,1-dioxide
Alternate Name(s) 3-Methoxy-1,1-dioxido-4-phenyl-1-benzothiepin-5-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16O5S
InChI InChI=1S/C19H16O5S/c1-13(20)24-19-15-10-6-7-11-17(15)25(21,22)12-16(23-2)18(19)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKey DKAYUCAJHHWKNS-UHFFFAOYSA-N
Molecular Weight 356.392 g/mol
SMILES C=1S(c2c(C(=C(C1OC)c1ccccc1)OC(=O)C)cccc2)(=O)=O
SPLASH splash10-0udi-0095000000-5d328159132e6fb36e4b
Source of Spectrum K-112-789-0
Wiley ID 1345710