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2-(5,6,7-trimethyl-4-oxooct-5-en-2-ylamino)-3-(5,6,7-trimethyl-4-oxooct-5-en-2-ylthio)ethyl propionate
SpectraBase Compound ID lykYBs439d
InChI InChI=1S/C27H47NO4S/c1-12-32-27(31)24(28-18(6)13-25(29)22(10)20(8)16(2)3)15-33-19(7)14-26(30)23(11)21(9)17(4)5/h16-19,24,28H,12-15H2,1-11H3/t18?,19?,24-/m0/s1
InChIKey AOQSQXZANMNPER-MORLXBONSA-N
Mol Weight 481.7 g/mol
Molecular Formula C27H47NO4S
Exact Mass 481.32258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5F5IIKLOsh7
Name 2-(5,6,7-trimethyl-4-oxooct-5-en-2-ylamino)-3-(5,6,7-trimethyl-4-oxooct-5-en-2-ylthio)ethyl propionate
Appearance Pale yellow viscous oil
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Formula C27H47NO4S
InChI InChI=1S/C27H47NO4S/c1-12-32-27(31)24(28-18(6)13-25(29)22(10)20(8)16(2)3)15-33-19(7)14-26(30)23(11)21(9)17(4)5/h16-19,24,28H,12-15H2,1-11H3/t18?,19?,24-/m0/s1
InChIKey AOQSQXZANMNPER-MORLXBONSA-N
Instrument Name Agilent 6890
Ionization Type EI
Molecular Weight 481.736 g/mol
SMILES N([C@@](CSC(CC(=O)C(C)=C(C)C(C)C)C)(C(OCC)=O)[H])C(CC(=O)C(C)=C(C)C(C)C)C
SPLASH splash10-016r-2960100000-336d30e0da7bbb0b6cd2
Source of Spectrum CN101679231A
Wiley ID 1841489