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(S,E)-5-(8-(benzyloxy)oct-1-en-1-yl)dihydro-2(3H)-furanone
SpectraBase Compound ID J6jL0BDVLtF
InChI InChI=1S/C19H26O3/c20-19-14-13-18(22-19)12-8-3-1-2-4-9-15-21-16-17-10-6-5-7-11-17/h5-8,10-12,18H,1-4,9,13-16H2/b12-8+/t18-/m1/s1
InChIKey UATFEQKILXSIIM-RXNMKEHESA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID S0CgidG0CW
Name (S,E)-5-(8-(benzyloxy)oct-1-en-1-yl)dihydro-2(3H)-furanone
Appearance Oil
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Exact Mass 302.188194694 u
Formula C19H26O3
InChI InChI=1S/C19H26O3/c20-19-14-13-18(22-19)12-8-3-1-2-4-9-15-21-16-17-10-6-5-7-11-17/h5-8,10-12,18H,1-4,9,13-16H2/b12-8+/t18-/m1/s1
InChIKey UATFEQKILXSIIM-RXNMKEHESA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201901210
Optical Rotation [a]D20 = +21.2 (c = 1.045, CHCl3)
Quality 10
SMILES C(C1=CC=CC=C1)OCCCCCC\C=C\[C@@]1(CCC(O1)=O)[H]
SPLASH splash10-0006-9000000000-175c2e0750705e1ef362
Sample Comments Major, 95% ee
Source of Spectrum QE-25-9953-(S,E)-11, zj-8-096 (DOI: 10.1002/chem.201901210)
Wiley ID 1893874