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(2R*,3S*)-2,3,7-Trimethyl-6-octene-1,3-diol 1-trimetyhylacetate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(2R*,3S*)-2,3,7-Trimethyl-6-octene-1,3-diol 1-trimetyhylacetate
SpectraBase Compound ID 3sjmVt5m9Kx
InChI InChI=1S/C16H30O3/c1-12(2)9-8-10-16(7,18)13(3)11-19-14(17)15(4,5)6/h9,13,18H,8,10-11H2,1-7H3/t13-,16+/m1/s1
InChIKey VVAHGHHFADQPRZ-CJNGLKHVSA-N
Mol Weight 270.41 g/mol
Molecular Formula C16H30O3
Exact Mass 270.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2UiStqnk6NM
Name (2R*,3S*)-2,3,7-Trimethyl-6-octene-1,3-diol 1-trimetyhylacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.219494823 u
Formula C16H30O3
InChI InChI=1S/C16H30O3/c1-12(2)9-8-10-16(7,18)13(3)11-19-14(17)15(4,5)6/h9,13,18H,8,10-11H2,1-7H3/t13-,16+/m1/s1
InChIKey VVAHGHHFADQPRZ-CJNGLKHVSA-N
Molecular Weight 270.413 g/mol
SMILES C(C(C)(C)C)(OC[C@]([C@@](O)(CCC=C(C)C)C)(C)[H])=O