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Methyl [11(2S)]-11-[2-[N-[(Benzyloxy)carbonyl]piperidinyl]]-9-undecenoate
SpectraBase Compound ID L1qHEE1Xdn1
InChI InChI=1S/C25H37NO4/c1-29-24(27)19-12-7-5-3-2-4-6-11-17-23-18-13-14-20-26(23)25(28)30-21-22-15-9-8-10-16-22/h6,8-11,15-16,23H,2-5,7,12-14,17-21H2,1H3/b11-6+/t23-/m0/s1
InChIKey PJZHPQZWVGDTRJ-VMMLISQSSA-N
Mol Weight 415.6 g/mol
Molecular Formula C25H37NO4
Exact Mass 415.272259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pgU9gfGD6X
Name Methyl [11(2S)]-11-[2-[N-[(Benzyloxy)carbonyl]piperidinyl]]-9-undecenoate
Alternate Name(s) (R)-2-((E)-10-Methoxycarbonyl-dec-2-enyl)-piperidine-1-carboxylic acid benzyl ester benzyl (2R)-2-[(2E)-11-methoxy-11-oxo-2-undecenyl]-1-piperidinecarboxylate
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Formula C25H37NO4
InChI InChI=1S/C25H37NO4/c1-29-24(27)19-12-7-5-3-2-4-6-11-17-23-18-13-14-20-26(23)25(28)30-21-22-15-9-8-10-16-22/h6,8-11,15-16,23H,2-5,7,12-14,17-21H2,1H3/b11-6+/t23-/m0/s1
InChIKey PJZHPQZWVGDTRJ-VMMLISQSSA-N
Molecular Weight 415.574 g/mol
SMILES C(N1[C@@](C\C=C\CCCCCCCC(=O)OC)(CCCC1)[H])(OCc1ccccc1)=O
SPLASH splash10-00di-0940000000-d7856586587c73b85979
Source of Spectrum J-61-1027-22
Wiley ID 1376038