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2,4,6-Tribromo-1,3,5-trineopentyl-benzene
SpectraBase Compound ID EyeDRglNRnG
InChI InChI=1S/C21H33Br3/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 BNAUUEQKXDBDCS-UHFFFAOYSA-N
Mol Weight 525.2 g/mol
Molecular Formula C21H33Br3
Exact Mass 522.01324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 33xsPvM9Vvx
Name 2,4,6-Tribromo-1,3,5-trineopentyl-benzene
CAS Registry Number 53067-71-3
Comments ROTAMER 2 CHEMICAL SHIFTS OF C8, C13 AND C18 CAN BE INTERCHANGED BETWEEN ROTAMER 1 AND 2 (FROM SCHERAGA,REASSIGNED)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H33Br3
InChI InChI=1S/C21H33Br3/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 BNAUUEQKXDBDCS-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