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3-Carboethoxy-1-methyl-2-[3,8,12,16-tetramethyl-2(E),7(E),11(E),15-heptadecatetraenyl]-4-piperidone
SpectraBase Compound ID DDHBOOuUR0g
InChI InChI=1S/C30H49NO3/c1-8-34-30(33)29-27(31(7)22-21-28(29)32)20-19-26(6)15-10-9-14-24(4)17-12-18-25(5)16-11-13-23(2)3/h13-14,18-19,27,29H,8-12,15-17,20-22H2,1-7H3/b24-14+,25-18+,26-19+
InChIKey FIBSVQZYTDHPQD-YLJSNVLOSA-N
Mol Weight 471.7 g/mol
Molecular Formula C30H49NO3
Exact Mass 471.371244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mpomAtUAq
Name 3-Carboethoxy-1-methyl-2-[3,8,12,16-tetramethyl-2(E),7(E),11(E),15-heptadecatetraenyl]-4-piperidone
Alternate Name(s) Ethyl 1-methyl-4-oxo-2-[(2E,7E,11E)-3,8,12,16-tetramethyl-2,7,11,15-heptadecatetraenyl]-3-piperidinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H49NO3
InChI InChI=1S/C30H49NO3/c1-8-34-30(33)29-27(31(7)22-21-28(29)32)20-19-26(6)15-10-9-14-24(4)17-12-18-25(5)16-11-13-23(2)3/h13-14,18-19,27,29H,8-12,15-17,20-22H2,1-7H3/b24-14+,25-18+,26-19+
InChIKey FIBSVQZYTDHPQD-YLJSNVLOSA-N
Molecular Weight 471.726 g/mol
SMILES C1(C(N(C)CCC1=O)C\C=C\(CCC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)C(=O)OCC
SPLASH splash10-001r-5900000000-ee524e88dabb538443df
Source of Spectrum J-57-7233-28
Wiley ID 1393153