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7-t-Butyl-5,5-dimethyl-9-(3-methoxy-1,1-dimethylpropyl)-1-methylthio-2-oxa-1-phosphabicyclo[5.4.0]undeca-6,8,10-triene 1-thioxide
SpectraBase Compound ID DikaS6SJUr0
InChI InChI=1S/C22H37O2PS2/c1-20(2,3)16-14-17(21(4,5)10-12-23-8)19-18(15-16)22(6,7)11-13-24-25(19,26)27-9/h14-15H,10-13H2,1-9H3
InChIKey MMHFSNNRNARJDY-UHFFFAOYSA-N
Mol Weight 428.6 g/mol
Molecular Formula C22H37O2PS2
Exact Mass 428.19726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrbqgNOGNIv
Name 7-t-Butyl-5,5-dimethyl-9-(3-methoxy-1,1-dimethylpropyl)-1-methylthio-2-oxa-1-phosphabicyclo[5.4.0]undeca-6,8,10-triene 1-thioxide
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Formula C22H37O2PS2
InChI InChI=1S/C22H37O2PS2/c1-20(2,3)16-14-17(21(4,5)10-12-23-8)19-18(15-16)22(6,7)11-13-24-25(19,26)27-9/h14-15H,10-13H2,1-9H3
InChIKey MMHFSNNRNARJDY-UHFFFAOYSA-N
Molecular Weight 428.630 g/mol
SMILES c12P(OCCC(c2cc(C(C)(C)C)cc1C(CCOC)(C)C)(C)C)(=S)SC
SPLASH splash10-0aba-2009000000-66c1ca1ad4991c1f0d10
Source of Spectrum F-56-54-38
Synonyms 7-tert-Butyl-9-(4-methoxy-2-methylbutan-2-yl)-5,5-dimethyl-1-(methylthio)-1-sulfanylidene-3,4-dihydro-2,1$l^{5}-benzoxaphosphepin 7-tert-Butyl-9-(4-methoxy-2-methylbutan-2-yl)-5,5-dimethyl-1-methylsulfanyl-1-sulfanylidene-3,4-dihydro-2,1$l^{5}-benzoxaphosphepine 7-tert-Butyl-9-(3-methoxy-1,1-dimethyl-propyl)-5,5-dimethyl-1-methylsulfanyl-1-thioxo-3,4-dihydro-2,1$l^{5}-benzoxaphosphepine 7-tert-Butyl-9-(4-methoxy-2-methyl-butan-2-yl)-5,5-dimethyl-1-methylsulfanyl-1-sulfanylidene-3,4-dihydro-2,1$l^{5}-benzoxaphosphepine
Wiley ID 855448