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3,3-Dichloro-1-isopropyl-2,4-diphenylazetidine

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

3,3-Dichloro-1-isopropyl-2,4-diphenylazetidine
SpectraBase Compound ID LvrGodnbjpL
InChI InChI=1S/C18H19Cl2N/c1-13(2)21-16(14-9-5-3-6-10-14)18(19,20)17(21)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3/t16-,17+
InChIKey RYHBYFIVCPZEDW-CALCHBBNSA-N
Mol Weight 320.26 g/mol
Molecular Formula C18H19Cl2N
Exact Mass 319.089455 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9XqBLijJ8iP
Name 3,3-Dichloro-1-isopropyl-2,4-diphenylazetidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.089455016 u
Formula C18H19Cl2N
InChI InChI=1S/C18H19Cl2N/c1-13(2)21-16(14-9-5-3-6-10-14)18(19,20)17(21)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3/t16-,17+
InChIKey RYHBYFIVCPZEDW-CALCHBBNSA-N
Molecular Weight 320.263 g/mol
SMILES C1(Cl)([C@@](C2=CC=CC=C2)(N([C@]1(C1=CC=CC=C1)[H])C(C)C)[H])Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93281