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(1R,2R,7R)-2-ACETOXY-BETA-BISABOLOL
SpectraBase Compound ID 148I2WNe7U1
InChI InChI=1S/C17H28O3/c1-12(2)7-6-8-14(4)17(19)10-9-13(3)11-16(17)20-15(5)18/h7,11,14,16,19H,6,8-10H2,1-5H3/t14-,16-,17-/m1/s1
InChIKey GHMRGLKPQJPFCD-DJIMGWMZSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AemNxyi0PLU
Name (1R,2R,7R)-2-ACETOXY-BETA-BISABOLOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-12(2)7-6-8-14(4)17(19)10-9-13(3)11-16(17)20-15(5)18/h7,11,14,16,19H,6,8-10H2,1-5H3/t14-,16-,17-/m1/s1
InChIKey GHMRGLKPQJPFCD-DJIMGWMZSA-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 280.408 g/mol
Solvent CDCl3
Source File Reference UWLU26480