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tert-butyl 4-cyano-4-[(1S,2S)-2-hex-1-ynylcyclopropyl]piperidine-1-carboxylate
SpectraBase Compound ID ADEOkRGZ6fQ
InChI InChI=1S/C20H30N2O2/c1-5-6-7-8-9-16-14-17(16)20(15-21)10-12-22(13-11-20)18(23)24-19(2,3)4/h16-17H,5-7,10-14H2,1-4H3/t16-,17-/m0/s1
InChIKey WRESZPUDFWQBJO-IRXDYDNUSA-N
Mol Weight 330.47 g/mol
Molecular Formula C20H30N2O2
Exact Mass 330.230728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OjkRTLKrl5
Name tert-butyl 4-cyano-4-[(1S,2S)-2-hex-1-ynylcyclopropyl]piperidine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30N2O2
InChI InChI=1S/C20H30N2O2/c1-5-6-7-8-9-16-14-17(16)20(15-21)10-12-22(13-11-20)18(23)24-19(2,3)4/h16-17H,5-7,10-14H2,1-4H3/t16-,17-/m0/s1
InChIKey WRESZPUDFWQBJO-IRXDYDNUSA-N
Ionization Type EI
Molecular Weight 330.472 g/mol
Quality 133
Reported Formula C20H30N2O2
SMILES C1([C@@]2([C@](C2)(C#CCCCC)[H])[H])(CCN(CC1)C(OC(C)(C)C)=O)C#N
SPLASH splash10-0a4i-9230000000-58b8b96944708bffaae9
Source of Spectrum CN111362832B
Wiley ID 1894773