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1-(3-Chloro-benzoyloxy)-4-hydroxy-1,1,4,4-tetra-tert-butyl-2-butyne

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1-(3-Chloro-benzoyloxy)-4-hydroxy-1,1,4,4-tetra-tert-butyl-2-butyne
SpectraBase Compound ID YST003s75M
InChI InChI=1S/C27H41ClO3/c1-22(2,3)26(30,23(4,5)6)16-17-27(24(7,8)9,25(10,11)12)31-21(29)19-14-13-15-20(28)18-19/h13-15,18,30H,1-12H3
InChIKey BXPKUKYTNCQWJW-UHFFFAOYSA-N
Mol Weight 449.1 g/mol
Molecular Formula C27H41ClO3
Exact Mass 448.274423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AdmsDsgDSke
Name 1-(3-Chloro-benzoyloxy)-4-hydroxy-1,1,4,4-tetra-tert-butyl-2-butyne
CAS Registry Number 108296-89-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H41ClO3
InChI InChI=1S/C27H41ClO3/c1-22(2,3)26(30,23(4,5)6)16-17-27(24(7,8)9,25(10,11)12)31-21(29)19-14-13-15-20(28)18-19/h13-15,18,30H,1-12H3
InChIKey BXPKUKYTNCQWJW-UHFFFAOYSA-N
Literature Reference J.K. Crandall, G.E. Salazar, R.J. Watkins, J. Am. Chem. Soc. 109, 4338 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3