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(2R,5S)-2,5-Dihydro-3,6-dimethoxy-2-isopropyl-5-(4-pentenyl)pyrazine
SpectraBase Compound ID FYsFrU3fyRj
InChI InChI=1S/C14H24N2O2/c1-6-7-8-9-11-13(17-4)16-12(10(2)3)14(15-11)18-5/h6,10-12H,1,7-9H2,2-5H3/t11-,12+/m0/s1
InChIKey RLILSAGTZZCCCW-NWDGAFQWSA-N
Mol Weight 252.36 g/mol
Molecular Formula C14H24N2O2
Exact Mass 252.183778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2LHA4P1ovL
Name (2R,5S)-2,5-Dihydro-3,6-dimethoxy-2-isopropyl-5-(4-pentenyl)pyrazine
Comments Computed using HOSE algorithm
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Exact Mass 252.183778019 u
Formula C14H24N2O2
InChI InChI=1S/C14H24N2O2/c1-6-7-8-9-11-13(17-4)16-12(10(2)3)14(15-11)18-5/h6,10-12H,1,7-9H2,2-5H3/t11-,12+/m0/s1
InChIKey RLILSAGTZZCCCW-NWDGAFQWSA-N
Molecular Weight 252.358 g/mol
SMILES C1(=N[C@@](C(=N[C@]1(CCCC=C)[H])OC)(C(C)C)[H])OC