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N-oleoyldopamine, 3TMS
SpectraBase Compound ID AE0asgz05Gb
InChI InChI=1S/C35H67NO3Si3/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-35(37)36(40(2,3)4)30-29-32-27-28-33(38-41(5,6)7)34(31-32)39-42(8,9)10/h18-19,27-28,31H,11-17,20-26,29-30H2,1-10H3/b19-18-
InChIKey OEMCKEADLAWYHI-HNENSFHCSA-N
Mol Weight 634.2 g/mol
Molecular Formula C35H67NO3Si3
Exact Mass 633.442875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nAQJitrrW0
Name N-oleoyldopamine, 3TMS
Alternate Name(s) N-Oleoyldopamine, 3TMS N-Oleoyl dopamine, 3TMS OLDA, 3TMS Lopac-O-2139, 3TMS O2139_SIGMA, 3TMS NCGC00015765-01, 3TMS (Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]octadec-9-enamide, 3TMS N-(3,4-bis((trimethylsilyl)oxy)phenethyl)-N-(trimethylsilyl)oleamide
Comments Derivatization type: 3 TMS (mass: 633.443); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000660; Note: The molecular formula of the structure shown is C26H43NO3 - which differs from the formula reported for the mass spectrum (C35H67NO3Si3)
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Formula C35H67NO3Si3
InChI InChI=1S/C35H67NO3Si3/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-35(37)36(40(2,3)4)30-29-32-27-28-33(38-41(5,6)7)34(31-32)39-42(8,9)10/h18-19,27-28,31H,11-17,20-26,29-30H2,1-10H3/b19-18-
InChIKey OEMCKEADLAWYHI-HNENSFHCSA-N
Molecular Weight 634.180 g/mol
SMILES CCCCCCCC\C=C/CCCCCCCC(N(CCc1ccc(c(c1)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C)=O
SPLASH splash10-0udi-0910000000-28e10247d39271901985
Source of Spectrum FM-2019-660-0
Wiley ID 1818338