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1,3-Isobenzofurandione, 6-(4-methylphenyl)-4-(methylthio)-
SpectraBase Compound ID 4h0VhJANOoP
InChI InChI=1S/C16H12O3S/c1-9-3-5-10(6-4-9)11-7-12-14(13(8-11)20-2)16(18)19-15(12)17/h3-8H,1-2H3
InChIKey VMFNFTTZZDIUPO-UHFFFAOYSA-N
Mol Weight 284.33 g/mol
Molecular Formula C16H12O3S
Exact Mass 284.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QzAABDsof4
Name 1,3-Isobenzofurandione, 6-(4-methylphenyl)-4-(methylthio)-
Alternate Name(s) 5-(4-Methylphenyl)-3-methylthiophthalic anhydride 6-(4-Methylphenyl)-4-(methylsulfanyl)-2-benzofuran-1,3-dione
CAS Registry Number 123559-20-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O3S
InChI InChI=1S/C16H12O3S/c1-9-3-5-10(6-4-9)11-7-12-14(13(8-11)20-2)16(18)19-15(12)17/h3-8H,1-2H3
InChIKey VMFNFTTZZDIUPO-UHFFFAOYSA-N
Molecular Weight 284.329 g/mol
SMILES c12C(OC(c2cc(cc1SC)-c1ccc(cc1)C)=O)=O
SPLASH splash10-001i-0090000000-f01d4543e0272c04c8d2
Source of Spectrum F-45-1515-9
Wiley ID 1287829