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(E)-(4S,5S)-5-[(4-methoxybenzyl)oxy]-2,4-dimethylhex-2-enal

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

(E)-(4S,5S)-5-[(4-methoxybenzyl)oxy]-2,4-dimethylhex-2-enal
SpectraBase Compound ID 331634HWSCD
InChI InChI=1S/C16H22O3/c1-12(10-17)9-13(2)14(3)19-11-15-5-7-16(18-4)8-6-15/h5-10,13-14H,11H2,1-4H3/b12-9+/t13-,14-/m0/s1
InChIKey ZYFZINZCDFWTCK-ZJTSMVRJSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 87tv2tCdRkO
Name (E)-(4S,5S)-5-[(4-Methoxybenzyl)oxy]-2,4-dimethylhex-2-enal
Comments Computed using HOSE algorithm
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Exact Mass 262.156894565 u
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-12(10-17)9-13(2)14(3)19-11-15-5-7-16(18-4)8-6-15/h5-10,13-14H,11H2,1-4H3/b12-9+/t13-,14-/m0/s1
InChIKey ZYFZINZCDFWTCK-ZJTSMVRJSA-N
Molecular Weight 262.349 g/mol
SMILES C(\C(=C\[C@@]([C@@](OCC=1C=CC(=CC1)OC)(C)[H])(C)[H])C)=O