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(2S,3R)-N-tert-Butylcarboxylate 2-(allyloxy)-3-iodo piperidine
SpectraBase Compound ID 8CCsPYPFSi8
InChI InChI=1S/C13H22INO3/c1-5-9-17-11-10(14)7-6-8-15(11)12(16)18-13(2,3)4/h5,10-11H,1,6-9H2,2-4H3/t10-,11+/m1/s1
InChIKey KUBSTOGQKCOUMJ-MNOVXSKESA-N
Mol Weight 367.23 g/mol
Molecular Formula C13H22INO3
Exact Mass 367.064439 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKCLsAWXyCo
Name (2S,3R)-N-tert-Butylcarboxylate 2-(allyloxy)-3-iodo piperidine
Appearance Yellow oil
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Exact Mass 367.064438569 u
Formula C13H22INO3
InChI InChI=1S/C13H22INO3/c1-5-9-17-11-10(14)7-6-8-15(11)12(16)18-13(2,3)4/h5,10-11H,1,6-9H2,2-4H3/t10-,11+/m1/s1
InChIKey KUBSTOGQKCOUMJ-MNOVXSKESA-N
Instrument Name Shimadzu GCMS-QP2010S
Ionization Type EI
Literature Reference DOI 10.1002/chem.201501543
Molecular Weight 367.227 g/mol
Quality 258
Reported Formula C13H22INO3
SMILES C1C[C@]([C@@](N(C1)C(=O)OC(C)(C)C)(OCC=C)[H])(I)[H]
SPLASH splash10-0a4i-9220000000-332788552e68e548fa8a
Sample Comments dr > 98:2
Source of Spectrum QE-21-SM7-12a (DOI: 10.1002/chem.201501543)
Wiley ID 1909186