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2-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxy-propyl]isoindoline-1,3-dione
SpectraBase Compound ID HMhMJXQZxhe
InChI InChI=1S/C18H14N2O3S2/c21-11(10-24-18-19-14-7-3-4-8-15(14)25-18)9-20-16(22)12-5-1-2-6-13(12)17(20)23/h1-8,11,21H,9-10H2
InChIKey OFASCSDWIZOXNM-UHFFFAOYSA-N
Mol Weight 370.44 g/mol
Molecular Formula C18H14N2O3S2
Exact Mass 370.044585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxdpFpYFf3P
Name 2-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxy-propyl]isoindoline-1,3-dione
Alternate Name(s) 2-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxypropyl]isoindole-1,3-dione 2-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanyl-propyl]isoindole-1,3-dione 2-[3-(1,3-benzothiazol-2-ylthio)-2-hydroxy-propyl]isoindoline-1,3-quinone 2-[3-(1,3-benzothiazol-2-ylthio)-2-hydroxypropyl]isoindole-1,3-dione
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Formula C18H14N2O3S2
InChI InChI=1S/C18H14N2O3S2/c21-11(10-24-18-19-14-7-3-4-8-15(14)25-18)9-20-16(22)12-5-1-2-6-13(12)17(20)23/h1-8,11,21H,9-10H2
InChIKey OFASCSDWIZOXNM-UHFFFAOYSA-N
Molecular Weight 370.441 g/mol
SMILES OC(CN1C(c2ccccc2C1=O)=O)CSc1nc2ccccc2s1
SPLASH splash10-03di-1590000000-4d3be37670fccd512e3e
Source of Spectrum QC-11-1581-4
Wiley ID 859767