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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)methyl propionate
SpectraBase Compound ID Ap9fJHvBQpX
InChI InChI=1S/C26H45NO4S/c1-15(2)19(7)21(9)24(28)12-17(5)27-23(26(30)31-11)14-32-18(6)13-25(29)22(10)20(8)16(3)4/h15-18,23,27H,12-14H2,1-11H3/t17?,18?,23-/m0/s1
InChIKey ZFUMDWPOMBRERP-KXXGJQBSSA-N
Mol Weight 467.7 g/mol
Molecular Formula C26H45NO4S
Exact Mass 467.30693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D46NjwXFu3K
Name 2-(5,6,7-trimethyl-4-oxooct-5-en-2-ylamino)-3-(5,6,7-trimethyl-4-oxooct-5-en-2-ylthio)methyl propionate
Appearance Yellow oil
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Formula C26H45NO4S
InChI InChI=1S/C26H45NO4S/c1-15(2)19(7)21(9)24(28)12-17(5)27-23(26(30)31-11)14-32-18(6)13-25(29)22(10)20(8)16(3)4/h15-18,23,27H,12-14H2,1-11H3/t17?,18?,23-/m0/s1
InChIKey ZFUMDWPOMBRERP-KXXGJQBSSA-N
Instrument Name Agilent 6890
Ionization Type EI
Molecular Weight 467.709 g/mol
SMILES N([C@@](CSC(CC(=O)C(C)=C(C)C(C)C)C)(C(OC)=O)[H])C(CC(=O)C(C)=C(C)C(C)C)C
SPLASH splash10-0wor-0980200000-353123bc1d02fe0d64e4
Source of Spectrum CN101679231A
Wiley ID 1841487