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(1R,2R,7R)-2-PARA-BROMOBENZOATE-BETA-BISABOLOL

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(1R,2R,7R)-2-PARA-BROMOBENZOATE-BETA-BISABOLOL
SpectraBase Compound ID HV2guY5eZYx
InChI InChI=1S/C22H29BrO3/c1-15(2)6-5-7-17(4)22(25)13-12-16(3)14-20(22)26-21(24)18-8-10-19(23)11-9-18/h6,8-11,14,17,20,25H,5,7,12-13H2,1-4H3/t17-,20-,22-/m1/s1
InChIKey UWOAATFRBAXYDQ-NQSCKRDGSA-N
Mol Weight 421.38 g/mol
Molecular Formula C22H29BrO3
Exact Mass 420.130008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6isEOoNPC6V
Name (1R,2R,7R)-2-PARA-BROMOBENZOATE-BETA-BISABOLOL
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29BrO3
InChI InChI=1S/C22H29BrO3/c1-15(2)6-5-7-17(4)22(25)13-12-16(3)14-20(22)26-21(24)18-8-10-19(23)11-9-18/h6,8-11,14,17,20,25H,5,7,12-13H2,1-4H3/t17-,20-,22-/m1/s1
InChIKey UWOAATFRBAXYDQ-NQSCKRDGSA-N
Literature Reference Author K.NISHIYA,T.KIMURA,K.TAKEYA,H.ITOKAWA
Literature Reference Citation PHYTOCHEM.,36,1547(1994)
Literature Reference DOI 10.1016/S0031-9422(00)89759-9
Molecular Weight 421.374 g/mol
Solvent CDCl3
Source File Reference UWLU26481