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(1-methyl-3-piperidinyl)methyl linoleate
SpectraBase Compound ID mYmlaTPsWK
InChI InChI=1S/C25H45NO3/c1-3-4-11-16-23-24(29-23)17-12-9-7-5-6-8-10-13-18-25(27)28-21-22-15-14-19-26(2)20-22/h9,12,22-24H,3-8,10-11,13-21H2,1-2H3/b12-9+
InChIKey RNXAESSKXCJFJR-FMIVXFBMSA-N
Mol Weight 407.6 g/mol
Molecular Formula C25H45NO3
Exact Mass 407.339944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fk9IpYx1M3
Name (1-methyl-3-piperidinyl)methyl linoleate
Alternate Name(s) (1-methyl-3-piperidinyl)methyl (9E)-11-(3-pentyl-2-oxiranyl)-9-undecenoate (N-methyl-3'-piperidinyl)methyl 12,13-epoxyoctadec-9-enoate
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Formula C25H45NO3
InChI InChI=1S/C25H45NO3/c1-3-4-11-16-23-24(29-23)17-12-9-7-5-6-8-10-13-18-25(27)28-21-22-15-14-19-26(2)20-22/h9,12,22-24H,3-8,10-11,13-21H2,1-2H3/b12-9+
InChIKey RNXAESSKXCJFJR-FMIVXFBMSA-N
Molecular Weight 407.639 g/mol
SMILES C1(OC1CCCCC)C\C=C\CCCCCCCC(=O)OCC1CN(C)CCC1
SPLASH splash10-03di-0900000000-d84c643149b23cd2a269
Source of Spectrum KO-18-335-0
Wiley ID 1372637