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6-Bromo-2-oxo-1,3-benzoxathiol-5-yl butyl carbonate

View entire compound with spectra: 1 MS (GC)

6-Bromo-2-oxo-1,3-benzoxathiol-5-yl butyl carbonate
SpectraBase Compound ID 5uNb1HfOEUR
InChI InChI=1S/C12H11BrO5S/c1-2-3-4-16-11(14)17-8-6-10-9(5-7(8)13)18-12(15)19-10/h5-6H,2-4H2,1H3
InChIKey CXLNAPJECARTFS-UHFFFAOYSA-N
Mol Weight 347.18 g/mol
Molecular Formula C12H11BrO5S
Exact Mass 345.951058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Tg6n1JPIFm
Name 6-Bromo-2-oxo-1,3-benzoxathiol-5-yl butyl carbonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11BrO5S
InChI InChI=1S/C12H11BrO5S/c1-2-3-4-16-11(14)17-8-6-10-9(5-7(8)13)18-12(15)19-10/h5-6H,2-4H2,1H3
InChIKey CXLNAPJECARTFS-UHFFFAOYSA-N
Molecular Weight 347.179 g/mol
SMILES C1(Sc2cc(OC(=O)OCCCC)c(cc2O1)Br)=O
SPLASH splash10-0005-9580000000-c28be4b5c9e1b9fb8559
Synonyms (6-bromanyl-2-oxidanylidene-1,3-benzoxathiol-5-yl) butyl carbonate Carbonic acid (6-bromo-2-keto-1,3-benzoxathiol-5-yl) butyl ester Carbonic acid (6-bromo-2-oxo-1,3-benzoxathiol-5-yl) butyl ester Carbonic acid, 6-bromo-2-oxo-benzo[1,3]oxathiol-5-yl ester butyl ester
Wiley ID 1441709