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[11(2S)]-11-[2-[N-[(Benzyloxy)carbonyl]piperidinyl]]-9-undecenoic Acid
SpectraBase Compound ID 6sCoMoMNv5e
InChI InChI=1S/C24H35NO4/c26-23(27)18-11-6-4-2-1-3-5-10-16-22-17-12-13-19-25(22)24(28)29-20-21-14-8-7-9-15-21/h5,7-10,14-15,22H,1-4,6,11-13,16-20H2,(H,26,27)/b10-5+/t22-/m1/s1
InChIKey PREGTQGOZCKBSG-YHEXHBFFSA-N
Mol Weight 401.5 g/mol
Molecular Formula C24H35NO4
Exact Mass 401.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsQ5iZkmcsS
Name [11(2S)]-11-[2-[N-[(Benzyloxy)carbonyl]piperidinyl]]-9-undecenoic Acid
Alternate Name(s) (9E)-11-{(2S)-1-[(benzyloxy)carbonyl]piperidinyl}-9-undecenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H35NO4
InChI InChI=1S/C24H35NO4/c26-23(27)18-11-6-4-2-1-3-5-10-16-22-17-12-13-19-25(22)24(28)29-20-21-14-8-7-9-15-21/h5,7-10,14-15,22H,1-4,6,11-13,16-20H2,(H,26,27)/b10-5+/t22-/m1/s1
InChIKey PREGTQGOZCKBSG-YHEXHBFFSA-N
Molecular Weight 401.547 g/mol
SMILES OC(CCCCCCC\C=C\C[C@]1(N(C(OCc2ccccc2)=O)CCCC1)[H])=O
SPLASH splash10-00di-0940000000-46d368ef85dc230a3b18
Source of Spectrum J-61-1028-23
Wiley ID 1370048