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2,4,6-Trichloro-1,3,5-trineopentyl-benzene
SpectraBase Compound ID BzUTDU5fC7z
InChI InChI=1S/C21H33Cl3/c1-19(2,3)10-13-16(22)14(11-20(4,5)6)18(24)15(17(13)23)12-21(7,8)9/h10-12H2,1-9H3
InChIKey XLSVOSZHWHHTHM-UHFFFAOYSA-N
Mol Weight 391.9 g/mol
Molecular Formula C21H33Cl3
Exact Mass 390.164784 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6CMaOTECtQ8
Name 2,4,6-Trichloro-1,3,5-trineopentyl-benzene
CAS Registry Number 25457-09-4
Comments ROTAMER 1 CHEMICAL SHIFTS OF C8, C13 AND C18 CAN BE INTERCHANGED BETWEEN ROTAMER 1 AND ROTAMER 2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H33Cl3
InChI InChI=1S/C21H33Cl3/c1-19(2,3)10-13-16(22)14(11-20(4,5)6)18(24)15(17(13)23)12-21(7,8)9/h10-12H2,1-9H3
InChIKey XLSVOSZHWHHTHM-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference R.E. Carter, B. Nilsson, K. Olsson, J. Am. Chem. Soc. 97, 6155 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3