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6,8-Diisopropoxy-trans-1,3-dimethylisochroman-5-yl diethylphosphoate
SpectraBase Compound ID 9Pgb8jtTq5E
InChI InChI=1S/C21H35O7P/c1-9-23-29(22,24-10-2)28-21-17-11-15(7)27-16(8)20(17)18(25-13(3)4)12-19(21)26-14(5)6/h12-16H,9-11H2,1-8H3/t15-,16-/m0/s1
InChIKey QEXCLHHZUYNKGS-HOTGVXAUSA-N
Mol Weight 430.5 g/mol
Molecular Formula C21H35O7P
Exact Mass 430.21204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9dx7y22jWG
Name 6,8-Diisopropoxy-trans-1,3-dimethylisochroman-5-yl diethylphosphoate
Alternate Name(s) (1S,3S)-6,8-diisopropoxy-1,3-dimethyl-3,4-dihydro-1H-2-benzopyran-5-yl diethyl phosphate phosphoric acid [(1S,3S)-1,3-dimethyl-6,8-di(propan-2-yloxy)-3,4-dihydro-1H-2-benzopyran-5-yl] diethyl ester [(1S,3S)-6,8-diisopropoxy-1,3-dimethyl-isochroman-5-yl] diethyl phosphate [(1S,3S)-1,3-dimethyl-6,8-di(propan-2-yloxy)-3,4-dihydro-1H-isochromen-5-yl] diethyl phosphate
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Formula C21H35O7P
InChI InChI=1S/C21H35O7P/c1-9-23-29(22,24-10-2)28-21-17-11-15(7)27-16(8)20(17)18(25-13(3)4)12-19(21)26-14(5)6/h12-16H,9-11H2,1-8H3/t15-,16-/m0/s1
InChIKey QEXCLHHZUYNKGS-HOTGVXAUSA-N
Molecular Weight 430.478 g/mol
SMILES c12c(c(OC(C)C)cc(c2[C@](C)(O[C@](C1)(C)[H])[H])OC(C)C)OP(=O)(OCC)OCC
SPLASH splash10-00yi-1009800000-d4b81adce30e5b1a7572
Source of Spectrum KC-0-807-37
Wiley ID 830173