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2-(5-Chloro-2-hydroxy-3-isopropyl-6-methyl-benzyl)isoindoline-1,3-quinone
SpectraBase Compound ID 9C5gEkNHH8M
InChI InChI=1S/C19H18ClNO3/c1-10(2)14-8-16(20)11(3)15(17(14)22)9-21-18(23)12-6-4-5-7-13(12)19(21)24/h4-8,10,22H,9H2,1-3H3
InChIKey FWZNKWVTJQPZMA-UHFFFAOYSA-N
Mol Weight 343.81 g/mol
Molecular Formula C19H18ClNO3
Exact Mass 343.097521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IgwuiqCH4LD
Name 2-(5-Chloro-2-hydroxy-3-isopropyl-6-methyl-benzyl)isoindoline-1,3-quinone
Alternate Name(s) 2-[(3-chloranyl-2-methyl-6-oxidanyl-5-propan-2-yl-phenyl)methyl]isoindole-1,3-dione 2-[(5-chloro-2-hydroxy-3-isopropyl-6-methyl-phenyl)methyl]isoindoline-1,3-dione 2-[(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]isoindole-1,3-dione Isoindole-1,3-dione, 2-(3-chloro-6-hydroxy-5-isopropyl-2-methylbenzyl)-
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Formula C19H18ClNO3
InChI InChI=1S/C19H18ClNO3/c1-10(2)14-8-16(20)11(3)15(17(14)22)9-21-18(23)12-6-4-5-7-13(12)19(21)24/h4-8,10,22H,9H2,1-3H3
InChIKey FWZNKWVTJQPZMA-UHFFFAOYSA-N
Molecular Weight 343.810 g/mol
SMILES Oc1c(c(c(cc1C(C)C)Cl)C)CN1C(c2ccccc2C1=O)=O
SPLASH splash10-03ed-3902000000-d731c339acc7fbd2cf9c
Wiley ID 1437909