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(4S,5'E,9'E)-3-(1'-Oxo-6',10',14'-trimethylpentadeca-5',9',13'-trienyl)-4-benzoxazolidin-2-one
SpectraBase Compound ID JOzKzPcAUqT
InChI InChI=1S/C28H39NO3/c1-22(2)12-10-14-24(4)16-11-15-23(3)13-8-9-19-27(30)29-26(21-32-28(29)31)20-25-17-6-5-7-18-25/h5-7,12-13,16-18,26H,8-11,14-15,19-21H2,1-4H3/b23-13+,24-16+/t26-/m0/s1
InChIKey QKTLEROGMXKEHD-PAIRRPGPSA-N
Mol Weight 437.6 g/mol
Molecular Formula C28H39NO3
Exact Mass 437.292994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rC93ft130J
Name (4S,5'E,9'E)-3-(1'-Oxo-6',10',14'-trimethylpentadeca-5',9',13'-trienyl)-4-benzoxazolidin-2-one
Alternate Name(s) (S)-4-Benzyl-3-((5E,9E)-6,10,14-trimethyl-pentadeca-5,9,13-trienoyl)-oxazolidin-2-one (4S)-4-(phenylmethyl)-3-[(5E,9E)-6,10,14-trimethyl-1-oxopentadeca-5,9,13-trienyl]-2-oxazolidinone (4S)-4-benzyl-3-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoyl]-1,3-oxazolidin-2-one (4S)-4-(phenylmethyl)-3-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoyl]-1,3-oxazolidin-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C28H39NO3
InChI InChI=1S/C28H39NO3/c1-22(2)12-10-14-24(4)16-11-15-23(3)13-8-9-19-27(30)29-26(21-32-28(29)31)20-25-17-6-5-7-18-25/h5-7,12-13,16-18,26H,8-11,14-15,19-21H2,1-4H3/b23-13+,24-16+/t26-/m0/s1
InChIKey QKTLEROGMXKEHD-PAIRRPGPSA-N
Molecular Weight 437.624 g/mol
SMILES C1(N([C@](CO1)(Cc1ccccc1)[H])C(=O)CCC\C=C\(CC\C=C\(CCC=C(C)C)C)C)=O
SPLASH splash10-014i-9000100000-df7c3bde9b969a3de95f
Source of Spectrum KC-0-929-6
Wiley ID 824601