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L-Leucine, N-formyl-, 1-(2-nonenyl)dodecyl ester, [S-(E)]-
SpectraBase Compound ID 9Ak6XE4m11U
InChI InChI=1S/C28H53NO3/c1-5-7-9-11-13-14-16-18-20-22-26(21-19-17-15-12-10-8-6-2)32-28(31)27(29-24-30)23-25(3)4/h17,19,24-27H,5-16,18,20-23H2,1-4H3,(H,29,30)/b19-17+/t26-,27+/m1/s1
InChIKey HLVOUCDABWAGAC-MKGGYCTOSA-N
Mol Weight 451.7 g/mol
Molecular Formula C28H53NO3
Exact Mass 451.402545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyycqIXLIH7
Name L-Leucine, N-formyl-, 1-(2-nonenyl)dodecyl ester, [S-(E)]-
Alternate Name(s) (1S,3E)-1-undecyl-3-decenyl (2S)-2-(formylamino)-4-methylpentanoate N-formyl-L-leucin(S,E)-1-(non-2-enyl)dodecyl ester (2S)-2-formamido-4-methylpentanoic acid [(E,10S)-heneicos-7-en-10-yl] ester [(E,10S)-henicos-7-en-10-yl] (2S)-2-formamido-4-methylpentanoate [(1S)-1-[(E)-non-2-enyl]dodecyl] (2S)-2-formamido-4-methyl-pentanoate [(E,10S)-henicos-7-en-10-yl] (2S)-2-formamido-4-methyl-pentanoate
CAS Registry Number 130676-63-0
Comments Less than 3 mono-isotopic peaks
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Formula C28H53NO3
InChI InChI=1S/C28H53NO3/c1-5-7-9-11-13-14-16-18-20-22-26(21-19-17-15-12-10-8-6-2)32-28(31)27(29-24-30)23-25(3)4/h17,19,24-27H,5-16,18,20-23H2,1-4H3,(H,29,30)/b19-17+/t26-,27+/m1/s1
InChIKey HLVOUCDABWAGAC-MKGGYCTOSA-N
Molecular Weight 451.736 g/mol
SMILES N(C=O)[C@](C(O[C@](C\C=C\CCCCCC)(CCCCCCCCCCC)[H])=O)(CC(C)C)[H]
SPLASH splash10-0006-0390000000-cc1810b9a33bc8607124
Source of Spectrum H-73-1034-2
Wiley ID 1388021