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Ethyl 3-{2'-[4''-[(benzyloxymethyl)hexyl]-[1',3']dioxolan-2'-yl]propanoate
SpectraBase Compound ID JCaB4DgmFXj
InChI InChI=1S/C22H34O5/c1-3-19(17-24-18-20-9-6-5-7-10-20)11-8-13-22(26-15-16-27-22)14-12-21(23)25-4-2/h5-7,9-10,19H,3-4,8,11-18H2,1-2H3/t19-/m1/s1
InChIKey CVDLJXUURAUDSS-LJQANCHMSA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HWqF3PYCG0o
Name Ethyl 3-{2'-[4''-[(benzyloxymethyl)hexyl]-[1',3']dioxolan-2'-yl]propanoate
Comments Computed using HOSE algorithm
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Exact Mass 378.240624190 u
Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-3-19(17-24-18-20-9-6-5-7-10-20)11-8-13-22(26-15-16-27-22)14-12-21(23)25-4-2/h5-7,9-10,19H,3-4,8,11-18H2,1-2H3/t19-/m1/s1
InChIKey CVDLJXUURAUDSS-LJQANCHMSA-N
Molecular Weight 378.509 g/mol
SMILES C1(OCCO1)(CCC(=O)OCC)CCC[C@](COCC1=CC=CC=C1)(CC)[H]