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4-[2-(1-adamantyl)-2-keto-ethyl]-2,3-dichloro-4-hydroxy-cyclobut-2-en-1-one
SpectraBase Compound ID 60ecXIClRdm
InChI InChI=1S/C16H18Cl2O3/c17-12-13(18)16(21,14(12)20)7-11(19)15-4-8-1-9(5-15)3-10(2-8)6-15/h8-10,21H,1-7H2/t8-,9+,10-,15-,16?
InChIKey GAVYUACSDQRORU-BSTJBYBASA-N
Mol Weight 329.22 g/mol
Molecular Formula C16H18Cl2O3
Exact Mass 328.0633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kU2lJXJ46A
Name 4-[2-(1-adamantyl)-2-keto-ethyl]-2,3-dichloro-4-hydroxy-cyclobut-2-en-1-one
Alternate Name(s) 4-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-2,3-bis(chloranyl)-4-oxidanyl-cyclobut-2-en-1-one 4-[2-(1-adamantyl)-2-oxo-ethyl]-2,3-dichloro-4-hydroxy-cyclobut-2-en-1-one 4-[2-(1-adamantyl)-2-oxoethyl]-2,3-dichloro-4-hydroxy-1-cyclobut-2-enone
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Formula C16H18Cl2O3
InChI InChI=1S/C16H18Cl2O3/c17-12-13(18)16(21,14(12)20)7-11(19)15-4-8-1-9(5-15)3-10(2-8)6-15/h8-10,21H,1-7H2/t8-,9+,10-,15-,16?
InChIKey GAVYUACSDQRORU-BSTJBYBASA-N
Molecular Weight 329.223 g/mol
SMILES OC1(C(Cl)=C(C1=O)Cl)CC(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O
SPLASH splash10-000i-0901000000-9053ec0a62d0b28959d1
Source of Spectrum KC-1993-267-7
Wiley ID 778823