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3-THUJANOL, ACETATE (ISOMER)

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3-THUJANOL, ACETATE (ISOMER)
SpectraBase Compound ID BovIxmyi6P6
InChI InChI=1S/C12H20O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7-8,10-11H,5-6H2,1-4H3
InChIKey RYMWIDNPMDLHRP-UHFFFAOYSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jj7JPtnQc9M
Name Neoisothujyl acetate
CAS Registry Number 53833-86-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7-8,10-11H,5-6H2,1-4H3
InChIKey RYMWIDNPMDLHRP-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference R.J. Abraham, C.M. Holden, Org. Magn. Resonance 6, 184 (1974).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3