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anti-(2RS,5SR,E)-5-(Diphenylphosphinoyl)dec-2-en-2-yl Nitrobenzoate
SpectraBase Compound ID EhgjSLChthm
InChI InChI=1S/C29H32NO5P/c1-3-4-7-12-28(36(34,26-13-8-5-9-14-26)27-15-10-6-11-16-27)22-17-23(2)35-29(31)24-18-20-25(21-19-24)30(32)33/h5-6,8-11,13-23,28H,3-4,7,12H2,1-2H3/b22-17+/t23-,28+/m1/s1
InChIKey GCVWNYXRNMYXLY-MMFWCZKXSA-N
Mol Weight 505.6 g/mol
Molecular Formula C29H32NO5P
Exact Mass 505.20181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWBRNIZSvSI
Name anti-(2RS,5SR,E)-5-(Diphenylphosphinoyl)dec-2-en-2-yl Nitrobenzoate
Alternate Name(s) (1E)-4-(diphenylphosphoryl)-1-methyl-1-nonenyl 2-nitrobenzoate anti-(2RS,5SR,E)-5-(Diphenylphosphinoyl)dec-3-en-2-yl 4-Nitrobenzoate
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Formula C29H32NO5P
InChI InChI=1S/C29H32NO5P/c1-3-4-7-12-28(36(34,26-13-8-5-9-14-26)27-15-10-6-11-16-27)22-17-23(2)35-29(31)24-18-20-25(21-19-24)30(32)33/h5-6,8-11,13-23,28H,3-4,7,12H2,1-2H3/b22-17+/t23-,28+/m1/s1
InChIKey GCVWNYXRNMYXLY-MMFWCZKXSA-N
Molecular Weight 505.551 g/mol
SMILES c1(N(=O)=O)ccc(C(O[C@@](\C=C\[C@@](P(=O)(c2ccccc2)c2ccccc2)(CCCCC)[H])(C)[H])=O)cc1
SPLASH splash10-0udi-0091300000-08ca6a612c7eed386f64
Source of Spectrum KC-1993-1853-16
Wiley ID 778622