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6,6-Dichloro-1-methyl-3-(2,4,6-trimethylphenyl)-3-phosphabicyclo[3.1.0]hexane 3-oxide isomer
SpectraBase Compound ID l1QtL3H9qX
InChI InChI=1S/C15H19Cl2OP/c1-9-5-10(2)13(11(3)6-9)19(18)7-12-14(4,8-19)15(12,16)17/h5-6,12H,7-8H2,1-4H3/t12-,14+,19-/m1/s1
InChIKey HVWIKMPLMWFCID-SPKLELGKSA-N
Mol Weight 317.2 g/mol
Molecular Formula C15H19Cl2OP
Exact Mass 316.055058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KprlfztDxet
Name 6,6-Dichloro-1-methyl-3-(2,4,6-trimethylphenyl)-3-phosphabicyclo[3.1.0]hexane 3-oxide isomer
Alternate Name(s) (1R,3R,5S)-6,6-dichloro-1-methyl-3-(2,4,6-trimethylphenyl)-3$l^{5}-phosphabicyclo[3.1.0]hexane 3-oxide (1R,3R,5S)-6,6-bis(chloranyl)-1-methyl-3-(2,4,6-trimethylphenyl)-3$l^{5}-phosphabicyclo[3.1.0]hexane 3-oxide
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Formula C15H19Cl2OP
InChI InChI=1S/C15H19Cl2OP/c1-9-5-10(2)13(11(3)6-9)19(18)7-12-14(4,8-19)15(12,16)17/h5-6,12H,7-8H2,1-4H3/t12-,14+,19-/m1/s1
InChIKey HVWIKMPLMWFCID-SPKLELGKSA-N
Molecular Weight 317.196 g/mol
SMILES [C@@]12([C@](C[P@@](C2)(c2c(cc(cc2C)C)C)=O)([H])C1(Cl)Cl)C
SPLASH splash10-015a-0393000000-3121a813dafa112ebc3c
Source of Spectrum K-2001-1064-5
Wiley ID 1578853