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6-(2-Chloro-4-nitrophenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate
SpectraBase Compound ID B24gJYrpx8b
InChI InChI=1S/C20H10ClNO6S/c21-15-8-12(22(25)26)6-7-13(15)14-9-17-18(29-20(24)28-17)10-16(14)27-19(23)11-4-2-1-3-5-11/h1-10H
InChIKey PSUHTARNVDTCLC-UHFFFAOYSA-N
Mol Weight 427.81 g/mol
Molecular Formula C20H10ClNO6S
Exact Mass 426.991736 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbU2ZX7l5ne
Name 6-(2-Chloro-4-nitrophenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H10ClNO6S
InChI InChI=1S/C20H10ClNO6S/c21-15-8-12(22(25)26)6-7-13(15)14-9-17-18(29-20(24)28-17)10-16(14)27-19(23)11-4-2-1-3-5-11/h1-10H
InChIKey PSUHTARNVDTCLC-UHFFFAOYSA-N
Molecular Weight 427.814 g/mol
SMILES c1ccc(C(Oc2c(-c3ccc(N(=O)=O)cc3Cl)cc3c(SC(O3)=O)c2)=O)cc1
SPLASH splash10-0a4i-5900000000-f9bc05d987ada06571e5
Synonyms benzoic acid [6-(2-chloro-4-nitrophenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester [6-(2-chloro-4-nitrophenyl)-2-oxo-1,3-benzoxathiol-5-yl] benzoate [6-(2-chloro-4-nitro-phenyl)-2-oxo-1,3-benzoxathiol-5-yl] benzoate [6-(2-chloranyl-4-nitro-phenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] benzoate
Wiley ID 1442388