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(2S,3R)-Trans-3-amino-1-cyclohexyl-2-phenylazetidine

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(2S,3R)-Trans-3-amino-1-cyclohexyl-2-phenylazetidine
SpectraBase Compound ID 5BKflSFLa3C
InChI InChI=1S/C15H22N2/c16-14-11-17(13-9-5-2-6-10-13)15(14)12-7-3-1-4-8-12/h1,3-4,7-8,13-15H,2,5-6,9-11,16H2/t14-,15+/m1/s1
InChIKey PZANYWDQSHTLQE-CABCVRRESA-N
Mol Weight 230.35 g/mol
Molecular Formula C15H22N2
Exact Mass 230.178299 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CJw5jALY4hM
Name (2S,3R)-Trans-3-amino-1-cyclohexyl-2-phenylazetidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.178298716 u
Formula C15H22N2
InChI InChI=1S/C15H22N2/c16-14-11-17(13-9-5-2-6-10-13)15(14)12-7-3-1-4-8-12/h1,3-4,7-8,13-15H,2,5-6,9-11,16H2/t14-,15+/m1/s1
InChIKey PZANYWDQSHTLQE-CABCVRRESA-N
Molecular Weight 230.355 g/mol
SMILES [C@@]1(N(C[C@]1(N)[H])C1CCCCC1)(C=1C=CC=CC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916401