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1-Tert-butyl-4-(4-chlorobenzyl)benzene

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

1-Tert-butyl-4-(4-chlorobenzyl)benzene
SpectraBase Compound ID EFOOekexpBY
InChI InChI=1S/C17H19Cl/c1-17(2,3)15-8-4-13(5-9-15)12-14-6-10-16(18)11-7-14/h4-11H,12H2,1-3H3
InChIKey WHCVNWPTCBCRPD-UHFFFAOYSA-N
Mol Weight 258.79 g/mol
Molecular Formula C17H19Cl
Exact Mass 258.117528 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID u92OvI1fqf
Name 1-Tert-butyl-4-(4-chlorobenzyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.117528312 u
Formula C17H19Cl
InChI InChI=1S/C17H19Cl/c1-17(2,3)15-8-4-13(5-9-15)12-14-6-10-16(18)11-7-14/h4-11H,12H2,1-3H3
InChIKey WHCVNWPTCBCRPD-UHFFFAOYSA-N
Molecular Weight 258.792 g/mol
SMILES C=1C(=CC=C(C1)CC=1C=CC(=CC1)Cl)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91601