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3-[(2R)-3,3-bis(chloranyl)-2-oxidanyl-propyl]-6-methoxy-8-oxidanyl-isochromen-1-one
SpectraBase Compound ID CjZh1iNgqWG
InChI InChI=1S/C13H12Cl2O5/c1-19-7-2-6-3-8(5-10(17)12(14)15)20-13(18)11(6)9(16)4-7/h2-4,10,12,16-17H,5H2,1H3/t10-/m1/s1
InChIKey RCUFLECOBNVNRE-SNVBAGLBSA-N
Mol Weight 319.14 g/mol
Molecular Formula C13H12Cl2O5
Exact Mass 318.006179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2BoAtfObyj
Name 3-[(2R)-3,3-bis(chloranyl)-2-oxidanyl-propyl]-6-methoxy-8-oxidanyl-isochromen-1-one
Alternate Name(s) 3-[(2R)-3,3-dichloro-2-hydroxy-propyl]-8-hydroxy-6-methoxy-isochromen-1-one 3-[(2R)-3,3-dichloro-2-hydroxy-propyl]-8-hydroxy-6-methoxy-isocoumarin 3-[(2R)-3,3-dichloro-2-hydroxypropyl]-8-hydroxy-6-methoxy-2-benzopyran-1-one
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Formula C13H12Cl2O5
InChI InChI=1S/C13H12Cl2O5/c1-19-7-2-6-3-8(5-10(17)12(14)15)20-13(18)11(6)9(16)4-7/h2-4,10,12,16-17H,5H2,1H3/t10-/m1/s1
InChIKey RCUFLECOBNVNRE-SNVBAGLBSA-N
Molecular Weight 319.140 g/mol
SMILES Oc1cc(cc2c1C(OC(C[C@](C(Cl)Cl)(O)[H])=C2)=O)OC
SPLASH splash10-0ar9-0597000000-402653d468909d282164
Source of Spectrum G4-62-1183-1
Wiley ID 1607990