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1,3-Isobenzofurandione, 6-(4-chlorophenyl)-4-(methylthio)-
SpectraBase Compound ID HjBykbMM6yh
InChI InChI=1S/C15H9ClO3S/c1-20-12-7-9(8-2-4-10(16)5-3-8)6-11-13(12)15(18)19-14(11)17/h2-7H,1H3
InChIKey STJQZZXVEDMHPT-UHFFFAOYSA-N
Mol Weight 304.75 g/mol
Molecular Formula C15H9ClO3S
Exact Mass 303.996093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A61AvN2krGB
Name 1,3-Isobenzofurandione, 6-(4-chlorophenyl)-4-(methylthio)-
Alternate Name(s) 5-(4-Chlorophenyl)-3-methylthiophthalic anhydride 6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-benzofuran-1,3-dione
CAS Registry Number 123559-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H9ClO3S
InChI InChI=1S/C15H9ClO3S/c1-20-12-7-9(8-2-4-10(16)5-3-8)6-11-13(12)15(18)19-14(11)17/h2-7H,1H3
InChIKey STJQZZXVEDMHPT-UHFFFAOYSA-N
Molecular Weight 304.747 g/mol
SMILES c12C(OC(c2cc(cc1SC)-c1ccc(cc1)Cl)=O)=O
SPLASH splash10-1159-0098000000-cc85d0026c21ad40b433
Source of Spectrum F-45-1515-9
Wiley ID 1306183