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Carbonic acid isopropyl ester 6-nitro-2-oxo-benzo[1,3]oxathiol-5-yl ester
SpectraBase Compound ID EwUGIBX70D7
InChI InChI=1S/C11H9NO7S/c1-5(2)17-10(13)18-7-4-9-8(19-11(14)20-9)3-6(7)12(15)16/h3-5H,1-2H3
InChIKey VUDILAICLQYLDY-UHFFFAOYSA-N
Mol Weight 299.25 g/mol
Molecular Formula C11H9NO7S
Exact Mass 299.009973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77gpBrYQhNH
Name Carbonic acid isopropyl ester 6-nitro-2-oxo-benzo[1,3]oxathiol-5-yl ester
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Formula C11H9NO7S
InChI InChI=1S/C11H9NO7S/c1-5(2)17-10(13)18-7-4-9-8(19-11(14)20-9)3-6(7)12(15)16/h3-5H,1-2H3
InChIKey VUDILAICLQYLDY-UHFFFAOYSA-N
Molecular Weight 299.253 g/mol
SMILES c1(N(=O)=O)c(cc2SC(Oc2c1)=O)OC(=O)OC(C)C
SPLASH splash10-0006-9000000000-c32b795d4ba66428e8d0
Synonyms (6-nitro-2-oxidanylidene-1,3-benzoxathiol-5-yl) propan-2-yl carbonate (6-nitro-2-oxo-1,3-benzoxathiol-5-yl) propan-2-yl carbonate Carbonic acid (6-nitro-2-oxo-1,3-benzoxathiol-5-yl) propan-2-yl ester Carbonic acid isopropyl (2-keto-6-nitro-1,3-benzoxathiol-5-yl) ester isopropyl (6-nitro-2-oxo-1,3-benzoxathiol-5-yl) carbonate
Wiley ID 1453420