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3,3-Dichloro-1-isopropyl-2-(4-methylphenyl)-azetidine

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

3,3-Dichloro-1-isopropyl-2-(4-methylphenyl)-azetidine
SpectraBase Compound ID 79xT473xBhF
InChI InChI=1S/C13H17Cl2N/c1-9(2)16-8-13(14,15)12(16)11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3
InChIKey KVSURAUQEIVKLS-UHFFFAOYSA-N
Mol Weight 258.19 g/mol
Molecular Formula C13H17Cl2N
Exact Mass 257.073805 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7ln2faFfT6q
Name 3,3-Dichloro-1-isopropyl-2-(4-methylphenyl)-azetidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.073804951 u
Formula C13H17Cl2N
InChI InChI=1S/C13H17Cl2N/c1-9(2)16-8-13(14,15)12(16)11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3
InChIKey KVSURAUQEIVKLS-UHFFFAOYSA-N
Molecular Weight 258.192 g/mol
SMILES C1(Cl)(C(C2=CC=C(C=C2)C)N(C1)C(C)C)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.838199