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(-)-(1Z,3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-1-yl acetate

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

(-)-(1Z,3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-1-yl acetate
SpectraBase Compound ID 2OVCpWV88dX
InChI InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12-13,16H,6-7,9,11H2,1-5H3/b13-12-,15-10+/t16-/m1/s1
InChIKey YWGWKZHYUXWOQR-NBOOUYFRSA-N
Mol Weight 264.41 g/mol
Molecular Formula C17H28O2
Exact Mass 264.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ChqRc2aeIkp
Name (-)-(1Z,3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-1-yl acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.208930140 u
Formula C17H28O2
InChI InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12-13,16H,6-7,9,11H2,1-5H3/b13-12-,15-10+/t16-/m1/s1
InChIKey YWGWKZHYUXWOQR-NBOOUYFRSA-N
Molecular Weight 264.409 g/mol
SMILES C(C)(=O)O\C=C/[C@@](CC\C=C\(CCC=C(C)C)C)(C)[H]